SCHEMBL8832020

SCHEMBL8832020

Cn1c2cc(C=O)ccc2c2nc3ccccc3nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ AHR P35869 1/20 0.54
▸ HCRTR1 O43613 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ CASP1 P29466 4/20 0.52
▸ CASP7 P55210 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ USP2 O75604 2/20 0.43
▸ POLB P06746 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
SCHEMBL8832460 0.89 MEN1 (0.65) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL8831953 0.87 MEN1 (0.55) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL8832521 0.87 MEN1 (0.55) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL8832401 0.78 MEN1 (0.57) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL16621922 0.76 MEN1 (0.68) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL8831898 0.74 MEN1 (0.54) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL327664 0.74 CYP2A6 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9034273 0.74 MEN1 (0.53) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL11180624 0.73 GPR3 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8831999 0.72 L3MBTL1 (0.50) MEN1KMT2ANR1I2AHRHCRTR1

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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