SCHEMBL9245202

SCHEMBL9245202

CCCCCCc1ccc(/N=N/c2ccc(OCCBr)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SLCO1B3 Q9NPD5 1/20 0.55
▸ SLCO1B1 Q9Y6L6 1/20 0.55
▸ PLA2G4A P47712 2/20 0.47
▸ PPARA Q07869 4/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NR5A1 Q13285 1/20 0.44
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PPARD Q03181 2/20 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
SCHEMBL9245210 1.00 CYP3A4 (0.55) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL28444370 0.94 CYP3A4 (0.55) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL9474399 0.93 LMNA (0.53) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL6680396 0.93 LMNA (0.53) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL6680394 0.93 LMNA (0.53) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL9474396 0.93 LMNA (0.53) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL8621372 0.93 CYP3A4 (0.61) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL8621374 0.93 CYP3A4 (0.61) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL19996603 0.91 LMNA (0.60) CYP3A4ALDH1A1LMNAMEN1USP2
SCHEMBL5188570 0.91 LMNA (0.60) CYP3A4ALDH1A1LMNAMEN1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7179773-A — — None — — JP disclosed
JP-H07179773-A AZO COMPOUND DAINICHISEIKA COLOR & CHEM MFG CO LTD 1995-07-18 — — JP disclosed
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