SCHEMBL28038264

SCHEMBL28038264

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1OBr

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
PTGS1 P23219 1/20 0.63
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MAOB P27338 1/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
GMNN O75496 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
THRB P10828 1/20 0.51
PIM1 P11309 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAOA P21397 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
AGTR1 P30556 1/20 0.51

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
SCHEMBL4431610 0.86 RXFP1 (0.66) SMN1; SMN2PTGS1NPC1RAB9AMAPT
SCHEMBL28037920 0.85 RXFP1 (0.69) PTGS1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL8401893 0.83 PTGS1 (0.60) SMN1; SMN2PTGS1NPC1RAB9AMAOB
SCHEMBL8052702 0.83 KMT2A (0.63) RAB9AMAPTLMNATDP1TP53
SCHEMBL31092080 0.81 SMN1; SMN2 (1.00) SMN1; SMN2PTGS1NPC1RAB9AMAOB
SCHEMBL8431673 0.80 SMN1; SMN2 (0.71) SMN1; SMN2PTGS1NPC1RAB9AMAOB
SCHEMBL15285327 0.79 MAPT (0.62) SMN1; SMN2PTGS1NPC1RAB9AMAPT
SCHEMBL2698258 0.79 P2RX1 (0.75) SMN1; SMN2PTGS1NPC1RAB9AMAPT
SCHEMBL2638776 0.79 PTGS1 (0.70) SMN1; SMN2PTGS1NPC1RAB9ALMNA
SCHEMBL12700361 0.79 NPC1 (0.71) SMN1; SMN2PTGS1NPC1RAB9AMAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843255-A Ethanol-reducing mouthwash formulation 强生消费者公司 2019-06-04 CN disclosed
CN-104797236-B Oral care compositions 麦克内尔-PPC股份有限公司 2018-08-21 CN disclosed
CN-105142601-B Oral care composition 强生消费者公司 2018-01-05 CN disclosed
CN-107260575-A High water content oral cavity composition comprising microcrystalline cellulose and carboxymethyl cellulose 高露洁-棕榄公司 2017-10-20 CN disclosed
CN-105142601-A Oral care compositions JOHNSO & JOHNSON CONSUMER COMPANIES INC 2015-12-09 CN disclosed