SCHEMBL7967791

SCHEMBL7967791

Cc1ccc2[nH]cc(Cc3nn(CC(=O)O)c(=O)c4ccccc34)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 4/20 0.56
▸ TSHR P16473 1/20 0.56
▸ ALOX15 P16050 1/20 0.54
▸ RAB9A P51151 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ S1PR2 O95136 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ AKR1B1 P15121 2/20 0.44

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
SCHEMBL7960283 0.88 CMA1 (0.65) CMA1TSHRALOX15CYP1A2CYP3A4
SCHEMBL7951731 0.87 GPR84 (0.56) CMA1TSHRALOX15S1PR2KMT2A
SCHEMBL18900933 0.86 TSHR (0.55) CMA1TSHRALOX15CYP1A2CYP3A4
SCHEMBL6115415 0.79 CMA1 (0.56) CMA1TSHRALOX15CYP3A4MAPT
SCHEMBL7963792 0.79 CYP1A2 (0.68) CMA1TSHRALOX15CYP1A2CYP3A4
SCHEMBL7962204 0.79 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL18900944 0.76 MAPT (0.53) CMA1TSHRALOX15CYP1A2CYP3A4
SCHEMBL18900946 0.75 GPR84 (0.59) MAPTSMN1; SMN2KMT2A
SCHEMBL24076925 0.75 ALOX15 (0.70) CMA1TSHRALOX15RAB9ACYP1A2
SCHEMBL6115844 0.74 CMA1 (0.63) CMA1TSHRALOX15RAB9ACYP1A2

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-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — WO disclosed
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