SCHEMBL8832725

SCHEMBL8832725

Cn1c2ccccc2c2nc3ccc(C#N)cc3nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MEN1 O00255 7/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ AHR P35869 1/20 0.52
▸ KDM4E B2RXH2 6/20 0.51
▸ MAPT P10636 6/20 0.51
▸ CASP1 P29466 5/20 0.51
▸ CASP7 P55210 5/20 0.51
▸ HCRTR1 O43613 4/20 0.51
▸ MAPK1 P28482 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ NPC1 O15118 4/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL8831950 1.00 LMNA (0.54) LMNAL3MBTL1MEN1KMT2ANR1I2
SCHEMBL8831898 0.87 MEN1 (0.54) LMNAL3MBTL1MEN1KMT2ANR1I2
SCHEMBL16621922 0.82 MEN1 (0.68) LMNAL3MBTL1MEN1KMT2ANR1I2
SCHEMBL26749738 0.79 CA1 (0.46) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL8831953 0.75 MEN1 (0.55) LMNAL3MBTL1MEN1KMT2ANR1I2
SCHEMBL8832521 0.75 MEN1 (0.55) LMNAL3MBTL1MEN1KMT2ANR1I2
SCHEMBL15197891 0.75 PIN1 (0.42) KDM4EALDH1A1GAAGLA
SCHEMBL29392214 0.73 NQO2 (0.50) LMNAL3MBTL1MEN1KMT2AKDM4E
SCHEMBL1996329 0.73 NQO2 (0.50) LMNAL3MBTL1MEN1KMT2AKDM4E
SCHEMBL17993488 0.72 KDM4E (0.51) LMNAMEN1KMT2AKDM4EMAPT

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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