SCHEMBL10576178

SCHEMBL10576178

CC(=O)NCC(C)(C)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.46
▸ EGFR P00533 1/20 0.45
▸ CHEK2 O96017 4/20 0.45
▸ HPSE Q9Y251 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL10576194 0.91 NPBWR1 (0.58) NPBWR1EGFRCHEK2HPSEHDAC6
SCHEMBL10578748 0.89 KDM4E (0.51) HDAC6KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10574919 0.83 MTNR1A (0.40) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL10574665 0.83 NPBWR1 (0.47) NPBWR1EGFRCHEK2HPSEHDAC6
SCHEMBL10576187 0.81 NPBWR1 (0.46) NPBWR1EGFRCHEK2HPSEHDAC6
SCHEMBL10578223 0.81 KDM4E (0.47) HPSEHDAC6KDM4EALDH1A1MAPT
SCHEMBL10578768 0.80 ALDH1A1 (0.60) NPBWR1EGFRCHEK2HDAC6KDM4E
SCHEMBL10577465 0.80 NPBWR1 (0.53) NPBWR1EGFRCHEK2HDAC6MMP2
SCHEMBL10575162 0.80 MTNR1A (0.37) HDAC6KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL10574975 0.79 SMN1; SMN2 (0.46) CHEK2KDM4EALDH1A1MAPTSMN1; SMN2

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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