SCHEMBL9496601

SCHEMBL9496601

Cc1ccc(NN2C=CC=C(C(=O)O)C2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 3/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PPIA P62937 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
SCHEMBL5252939 0.90 RAB9A (0.45) TSHRMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL9499264 0.77 TSHR (0.35) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL9498587 0.75 CBS (0.41) TSHRMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL9495344 0.74 TP53 (0.33) TSHRMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL9496610 0.74 MAPT (0.47) TSHRMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL2312502 0.71 KMT2A (0.75) TSHRMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL2312499 0.71 KMT2A (0.75) TSHRMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL10600161 0.69 MEN1 (0.43) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL9494997 0.69
SCHEMBL9495354 0.69 HTT (0.44) TSHRMAPTKMT2ASMN1; SMN2MEN1

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
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed