SCHEMBL13010896

SCHEMBL13010896

COC(=O)c1cccc(Nc2ccccn2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.55
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.50
▸ POLB P06746 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALOX15 P16050 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ AURKA O14965 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
SCHEMBL29394920 0.88 KDM4E (0.60) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL1496803 0.81 CXCR2 (0.50) CXCR2MEN1KMT2AKDM4EPOLB
SCHEMBL2343124 0.80 ALDH1A1 (0.62) CXCR2MEN1KMT2AKDM4EHTT
SCHEMBL2443393 0.80 CXCR2 (0.49) CXCR2MEN1KMT2AKDM4EPOLB
SCHEMBL9409090 0.80 JAK2 (0.56) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL1610470 0.79 CXCR2 (0.48) CXCR2KMT2AKDM4EPOLBATM
SCHEMBL1548893 0.77 DHODH (0.55) CXCR2MEN1KMT2AKDM4EPOLB
SCHEMBL1612628 0.77 CXCR2 (0.46) CXCR2KMT2AKDM4EPOLBATM
SCHEMBL13010894 0.76 ALDH1A1 (0.45) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL27999264 0.76 KMT2A (0.66) MEN1KMT2AMAPK10GFERKDM4E

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-2264031-A2 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-22 — — EP disclosed
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