SCHEMBL679994

SCHEMBL679994

Nc1cc(Oc2ccccc2)c(N)c(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAOB P27338 1/20 0.45
MAOA P21397 1/20 0.45
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 3/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ADORA2A P29274 1/20 0.41
HRH1 P35367 1/20 0.40
RCE1 Q9Y256 1/20 0.40
CTNNB1 P35222 1/20 0.40
TTR P02766 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30561268 1.00 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL9494909 0.81 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL3292290 0.79 AKR1B1 (0.34) NPC1
SCHEMBL2943595 0.79 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL7405348 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL4456664 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL2210191 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL21796059 0.78 ADORA2A (0.55) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL10602800 0.76 ADORA2A (0.54) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL10898724 0.76 ADORA2A (0.54) CYP1A2CYP3A4CYP2C9CYP2C19MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117067732-A Polyimide composite flocculus and preparation method thereof 江西先材纳米纤维科技有限公司 2023-11-17 CN claimed
CN-117026633-A Polyimide composite flocculus and preparation method thereof 江西先材纳米纤维科技有限公司 2023-11-10 CN claimed
CN-117005106-A Polyimide composite flocculus and preparation method thereof 江西先材纳米纤维科技有限公司 2023-11-07 CN claimed
CN-116463859-A Polyimide composite flocculus and preparation method thereof 江西先材纳米纤维科技有限公司 2023-07-21 CN claimed
CN-116219629-A Polyimide nanofiber flocculus and preparation method thereof 江西先材纳米纤维科技有限公司 2023-06-06 CN claimed
CN-110815992-A Heat insulation film for aquaculture and preparation method and use method thereof 浙江鹏远新材料股份有限公司 2020-02-21 CN claimed
EP-2267060-B1 High-molecular polyazoles PBI PERFORMANCE PRODUCTS INC (US) 2014-09-17 EP claimed
EP-1583789-B1 HIGH-MOLECULAR POLYAZOLES BASF FUEL CELL RES GMBH (DE) 2014-07-02 EP claimed
EP-2267059-B1 Proton conducting membrane and its application BASF SE (DE) 2012-08-22 EP claimed
EP-2270068-B1 Protonconductuing membrane and application thereof BASF SE (DE) 2012-08-22 EP claimed
EP-1701995-B1 PROTON-CONDUCTING MEMBRANE AND USE THEREOF BASF FUEL CELL RES GMBH (DE) 2012-02-29 EP claimed
EP-2373406-A1 METHOD FOR PRODUCING A PROTON-CONDUCTING MEMBRANE BASF SE (DE) 2011-10-12 EP claimed
US-7820314-B2 Proton-conducting membrane and use thereof BASF FUEL CELL RESEARCH GMBH (DE) 2010-10-26 US claimed
WO-2010063489-A1 METHOD FOR PRODUCING A PROTON-CONDUCTING MEMBRANE BASF SE (DE) 2010-06-10 WO claimed
EP-0538850-B1 New polyurea resins and their preparation and use IHARA CHEMICAL IND CO (JP) 1997-01-22 EP claimed
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 WO claimed
US-5319058-A Improved heat resistance when polyisocyanate component is a combination of an aliphatic diisocyanate and a cyclic trimer of an aliphatic polyisocyanate IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 US claimed
EP-0538850-A2 New polyurea resins and their preparation and use IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-04-28 EP claimed
JP-62247807-A None JP disclosed
US-3943107-A Processable high temperature polymers prepared from amine terminated polymers and cyanamides of polyfunctional secondary amines CIBA-GEIGY CORPORATION (US) 1976-03-09 US disclosed