SCHEMBL10576194

SCHEMBL10576194

CC(=O)NCC(C)(C)c1ccc2nc(-c3ccc(C)cc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.58
▸ EGFR P00533 1/20 0.55
▸ CHEK2 O96017 4/20 0.53
▸ HPSE Q9Y251 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP8 P22894 2/20 0.49
▸ MMP13 P45452 2/20 0.49
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDR P35968 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10576178 0.91 NPBWR1 (0.46) NPBWR1EGFRCHEK2HPSEHDAC6
SCHEMBL10578768 0.89 ALDH1A1 (0.60) NPBWR1EGFRCHEK2HDAC6TP53
SCHEMBL10574938 0.83 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL10574680 0.83 NPBWR1 (0.59) NPBWR1EGFRCHEK2HPSEHDAC6
SCHEMBL10578228 0.81 ALDH1A1 (0.55) NPBWR1CHEK2HPSEHDAC6TP53
SCHEMBL10578748 0.80 KDM4E (0.51) HDAC6TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL10577479 0.80 NPBWR1 (0.67) NPBWR1EGFRCHEK2MMP2MMP9
SCHEMBL10575178 0.80 METAP2 (0.42) HDAC6TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL10579087 0.78 KDM4E (0.52) NPBWR1EGFRCHEK2HPSEHDAC6
SCHEMBL10695379 0.78 KDM4E (0.51) NPBWR1CHEK2HDAC6TP53MAPT

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-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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