SCHEMBL31058882

SCHEMBL31058882

Nc1c(-c2ccccc2)ccnc1-c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.51
PBRM1 Q86U86 1/20 0.51
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 4/20 0.48
MAPT P10636 4/20 0.48
ALOX15 P16050 4/20 0.48
CASP1 P29466 4/20 0.48
BLM P54132 4/20 0.48
CASP7 P55210 4/20 0.48
KMT2A Q03164 4/20 0.48
PIK3R1 P27986 2/20 0.48
PIK3CA P42336 2/20 0.48
USP2 O75604 2/20 0.48
ESR1 P03372 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL26151953 1.00 SMARCA2 (0.51) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL26151952 0.75 ADORA2A (0.44) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL31058892 0.75 ADORA2A (0.44) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL10966608 0.75 CDK5 (0.49) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL31064873 0.72 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1165179 0.71 GSK3B (0.47) SMARCA2PBRM1ALDH1A1HSD17B10MAPT
SCHEMBL29755699 0.69 KDM4E (0.51) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL7116127 0.69 KDM4E (0.51) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL1253845 0.68 MEN1 (0.47) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL8545080 0.68 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EHPGDMEN1

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
CN-118251389-A Pyridyl derivatives as sodium channel activators 泽农医药公司 2024-06-25 CN disclosed