SCHEMBL8604885

SCHEMBL8604885

O=C1c2ccccc2C(=O)C1Cc1cc[n+]([O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ S100A4 P26447 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33

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
SCHEMBL9055148 0.81 MAPT (0.52) CYP3A4MEN1KMT2AMAPTALDH1A1
SCHEMBL29007602 0.74 RAB9A (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL30397064 0.74 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL29007584 0.74 GAA (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18328075 0.71 MEN1 (0.44) CYP3A4MEN1KMT2AMAPTALDH1A1
SCHEMBL29007581 0.67 MEN1 (0.47) CYP2C19MEN1KMT2AMAPTALDH1A1
SCHEMBL30396376 0.67 MEN1 (0.47) CYP2C19MEN1KMT2AMAPTALDH1A1
SCHEMBL30396872 0.67 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1000044 0.66 POLB (0.48) CYP3A4CYP2C19ALDH1A1POLB
SCHEMBL17221757 0.64 MEN1 (0.41) CYP3A4MEN1KMT2AMAPTALDH1A1

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 — — WO claimed
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