SCHEMBL22035385

SCHEMBL22035385

C=C/C(=C\C=C(/C)N)Oc1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.33
CYP19A1 P11511 1/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
F2 P00734 2/20 0.33
PARP10 Q53GL7 1/20 0.33
TEAD4 Q15561 1/20 0.32
THRB P10828 2/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL13114846 0.85 TGM2 (0.35) TDP1ALDH1A1PRSS1PARP10THRB
SCHEMBL23139210 0.79 TDP1 (0.40) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL26517460 0.73 TEAD4 (0.36) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL24840860 0.71 LMNA (0.44) ALDH1A1THRBMAPTPOLBKDM4E
SCHEMBL23842847 0.71 LMNA (0.44) TDP1ALDH1A1THRBMAPTPOLB
SCHEMBL14396441 0.70 CYP19A1 (0.39) CYP3A4CYP19A1PRSS1PRSS3F2
SCHEMBL22504926 0.69 TGM2 (0.36) TDP1ALDH1A1THRBMAPTGAA
SCHEMBL19917284 0.69 TGM2 (0.36) TDP1ALDH1A1TSHRTHRBMAPT
SCHEMBL3291664 0.69 THRB (0.55) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL20272370 0.68 LMNA (0.44) ALDH1A1CYP3A4TSHRTEAD4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3336083-B1 TETRACARBOXYLIC DIANHYDRIDE, CARBONYL COMPOUND, POLYAMIC ACID AND POLYIMIDE AND METHODS RESPECTIVELY FOR PRODUCING THESE COMPOUNDS, SOLUTION PREPARED USING POLYAMIC ACID, AND FILM PRODUCED USING POLYIMIDE JXTG NIPPON OIL & ENERGY CORP (JP) 2020-05-27 EP disclosed