SCHEMBL3651174

SCHEMBL3651174

O=c1[nH]c(=O)c2ncn(P(c3ccccc3)c3ccccc3)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ BLM P54132 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADORA2B P29275 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ XDH P47989 1/20 0.36

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
SCHEMBL158477 0.74 ALDH1A1 (0.73) ALDH1A1BLMTDP1LMNAADORA2B
SCHEMBL9949248 0.71 PNP (0.41) ALDH1A1BLMTDP1POLBMEN1
SCHEMBL6360069 0.71 PNP (0.58) ALDH1A1PKMKMT2AKDM4EADORA2A
SCHEMBL2352519 0.70 PNP (0.43) ALDH1A1BLMTDP1POLBMEN1
SCHEMBL7170412 0.69 ALDH1A1 (0.41) ALDH1A1BLMTDP1POLBMEN1
SCHEMBL6275156 0.68 PNP (0.42) ALDH1A1BLMTDP1POLBMEN1
SCHEMBL10998 0.67 GDA (0.53) ALDH1A1BLMTDP1POLBMEN1
SCHEMBL4560085 0.67 GDA (0.53) ALDH1A1BLMTDP1POLBMEN1
SCHEMBL133948 0.67 PNP (0.41) ALDH1A1BLMTDP1POLBMEN1
SCHEMBL618978 0.67 PNP (0.44) ALDH1A1BLMTDP1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107880902-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2023-07-25 — — CN disclosed
CN-107880902-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2018-04-06 — — CN disclosed
CN-103596960-B 6, 7-dihydroimidazo [2,1-B ] [1,3] oxazine fungicides 大塚制药株式会社 2016-11-16 — — CN disclosed
CN-101801949-B Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2014-09-24 — — CN disclosed
CN-102448953-B Pyrazole compound TAKEDA PHARMACEUTICAL 2014-05-07 — — CN disclosed
CN-103596960-A 6, 7-dihydroimidazo [2,1-B ] [1,3] oxazine fungicides OTSUKA PHARMA CO LTD 2014-02-19 — — CN disclosed
CN-103265501-A Method for producing N-phenyl-N'-phenylsulfonylpiperazine derivative SHIONOGI & CO 2013-08-28 — — CN disclosed
CN-102448953-A Pyrazole compounds TAKEDA PHARMACEUTICAL 2012-05-09 — — CN disclosed
CN-101801949-A Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2010-08-11 — — CN disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 — — EP disclosed
CN-101679267-A Process for producing N-phenyl-N' -benzenesulfonylpiperazine derivative SHIONOGI & CO 2010-03-24 — — CN disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 — — WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 — — WO disclosed
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