SCHEMBL30366987

SCHEMBL30366987

COc1ccc(CNc2nccc3cnc(-c4ccc([N+](=O)[O-])cc4)n23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 3/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
EGFR P00533 1/20 0.45
IGF1R P08069 1/20 0.45
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19878143 0.83 VNN1 (0.47) MAPTKDM4EMAPK1GAATHRB
SCHEMBL19878173 0.80 GAA (0.44) KMT2ARAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL29628182 0.80 GAA (0.44) KMT2ARAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL30367508 0.80 LMNA (0.42) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13201555 0.79 GAA (0.49) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL26608015 0.70 KMT2A (1.00) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30367576 0.70 ROCK1 (0.62) KMT2ARAB9ANPC1MAPTKDM4E
SCHEMBL346269 0.69 KMT2A (0.67) KMT2ARAB9ANPC1MAPTKDM4E
SCHEMBL4982448 0.67 MAPT (0.57) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30499529 0.67 KMT2A (0.43) KMT2ARAB9ANPC1MAPTSMN1; SMN2

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
WO-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed