SCHEMBL8832460

SCHEMBL8832460

Cn1c2ccc(C=O)cc2c2nc3ccccc3nc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ AHR P35869 1/20 0.65
▸ MAPT P10636 6/20 0.63
▸ HCRTR1 O43613 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ CASP1 P29466 2/20 0.63
▸ CASP7 P55210 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL8832020 0.89 MEN1 (0.54) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL8832521 0.87 MEN1 (0.55) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL8831953 0.87 MEN1 (0.55) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL8832163 0.79 MEN1 (1.00) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL8349393 0.78 MEN1 (0.70) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL16621922 0.76 MEN1 (0.68) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL8348445 0.75 KMT2A (0.67) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL11180483 0.74 MEN1 (0.68) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL2713434 0.74 CYP2A6 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL31711447 0.74 CYP2A6 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1

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
US-5597921-A ANTITUMOR AGENTS, TREATMENT OF LEUKEMIA TAISHO PHARMACEUTICAL CO., LTD. (JP) 1997-01-28 — — US disclosed
EP-0695754-A1 INDOLO 2,3-b]QUINOXALINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1996-02-07 — — EP disclosed
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