SCHEMBL10573902

SCHEMBL10573902

COc1ccc(-c2nc3cc(C(C)(C)CN)ccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ PKM P14618 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ SLC2A1 P11166 1/20 0.52
▸ TP53 P04637 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ TRPV1 Q8NER1 2/20 0.48
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CHEK2 O96017 7/20 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
SCHEMBL10573910 0.90 SLC2A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL10577465 0.86 NPBWR1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL10579198 0.86 ALOX5 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDMEN1
SCHEMBL10579325 0.85 DGAT1 (0.51) SMN1; SMN2ALDH1A1HPGDTRPV1HSD17B10
SCHEMBL10576078 0.85 HDAC6 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10573939 0.84 KDM4E (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5679609 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL10574269 0.82 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL10574944 0.82 CHEK2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL10575018 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1PKM

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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