SCHEMBL9486190

SCHEMBL9486190

Cn1cc(C(=O)c2ccc(O)cc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ CDK2 P24941 1/20 0.44
▸ LMNA P02545 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL22188908 0.91 ALDH1A1 (0.56) POLBALDH1A1PAX8CDK2LMNA
SCHEMBL22188914 0.89 POLB (0.62) POLBALDH1A1CDK2LMNAHTT
SCHEMBL9485938 0.87 MAPK1 (0.60) POLBALDH1A1PAX8LMNAHTT
SCHEMBL6488744 0.81 MAPT (0.49) POLBCDK2LMNAMAPTMAPK1
SCHEMBL5327849 0.81 CDK2 (0.56) POLBALDH1A1CDK2MEN1KMT2A
SCHEMBL27709706 0.81 CDK2 (0.46) POLBALDH1A1CDK2LMNAMEN1
SCHEMBL22188915 0.79 MAPT (0.48) POLBCDK2LMNAMEN1KMT2A
SCHEMBL7508094 0.78 CDK2 (0.46) POLBCDK2LMNAMEN1KMT2A
SCHEMBL29263665 0.78 NR4A2 (0.59) POLBALDH1A1CDK2LMNAHTT
SCHEMBL22188909 0.78 PLA2G4A (0.52) POLBALDH1A1CDK2HTTMAPT

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-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 — — US disclosed
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