SCHEMBL10577409

SCHEMBL10577409

Cc1ccc(-c2nc3cc(C(C)(C)CN)ccc3[nH]2)c(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 6/20 0.36
▸ F2 P00734 4/20 0.34
▸ F10 P00742 4/20 0.34
▸ PLG P00747 4/20 0.34
▸ PLAU P00749 4/20 0.34
▸ PRSS1 P07477 4/20 0.34
▸ PLAT P00750 3/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL10577412 0.91 F2 (0.41) AMY1AF2F10PLGPLAU
SCHEMBL10578002 0.83 AMY1A (0.32) AMY1ASMN1; SMN2HPGDNPC1ALDH1A1
SCHEMBL10579325 0.78 DGAT1 (0.51) SMN1; SMN2HPGDALDH1A1GAAHDAC6
SCHEMBL10577465 0.77 NPBWR1 (0.53) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL10580031 0.76 AMY1A (0.46) AMY1ASMN1; SMN2HPGDNPC1ALDH1A1
SCHEMBL10573929 0.76 MAPT (0.44) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A
SCHEMBL10576078 0.75 HDAC6 (0.52) PLAUPRSS1SMN1; SMN2HPGDNPC1
SCHEMBL10576332 0.75 AMY1A (0.38) AMY1ANPC1RAB9A
SCHEMBL10575682 0.74 HDAC6 (0.40) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A
SCHEMBL10573939 0.74 KDM4E (0.49) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A

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
Send feedback