SCHEMBL9150381

SCHEMBL9150381

O=C(CCCc1cn(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc12)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.46
AGTR1 P30556 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.43
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
ELANE P08246 1/20 0.41
CCR2 P41597 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 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
SCHEMBL9149099 0.91 KMT2A (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9154069 0.88 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9152137 0.87 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9152716 0.85 KMT2A (0.55) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9150364 0.80 RAB9A (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9615033 0.75 KMT2A (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9371289 0.73 HTR6 (0.46) KMT2AMEN1ALDH1A1L3MBTL1HTR1A
SCHEMBL9149259 0.72 TNFSF11 (0.50) KMT2AMEN1ALDH1A1HTR1AHTR1D
SCHEMBL9333981 0.72 MEN1 (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9156549 0.72 AKR1C3 (0.46) HTR1AHTR1DHTR1BHTR1FHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516849-B1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-25 EP disclosed
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
WO-1991013060-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-05 WO disclosed
CN-1054250-A INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1991-09-04 CN disclosed