SCHEMBL9615033

SCHEMBL9615033

O=C(CCCc1c(C(=O)c2cccc([N+](=O)[O-])c2)[nH]c2ccc(Cl)cc12)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
AGTR1 P30556 2/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
IDO1 P14902 1/20 0.44
CNR1 P21554 4/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XBP1 P17861 1/20 0.40
PDE1C Q14123 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9615034 0.91 KMT2A (0.53) KMT2AALDH1A1MEN1AGTR1HTT
SCHEMBL9615028 0.88 KMT2A (0.52) KMT2AALDH1A1MEN1AGTR1HTT
SCHEMBL9615038 0.85 KMT2A (0.57) KMT2AALDH1A1MEN1AGTR1HTT
SCHEMBL9150381 0.75 KMT2A (0.47) KMT2AALDH1A1MEN1AGTR1HTT
SCHEMBL9371294 0.73 MCL1 (0.46) ALDH1A1LMNA
SCHEMBL9615051 0.72 KMT2A (0.51) KMT2AALDH1A1MEN1AGTR1HTT
SCHEMBL9615042 0.72 CNR1 (0.47) ALDH1A1CYP1A2CYP2C19CNR1HPGD
SCHEMBL1345750 0.71 GPR17 (0.53) KMT2AALDH1A1MEN1HTTHPGD
SCHEMBL22694071 0.69 ALDH1A1 (0.66) KMT2AALDH1A1MEN1AGTR1HTT
SCHEMBL9369708 0.69 PPARG (0.44) ALDH1A1CYP1A2CYP2C19CYP2D6CYP2C9

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
EP-0516849-A1 INDOLE DERIVATIVES. FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 EP disclosed