SCHEMBL10574093

SCHEMBL10574093

COc1cc(Cl)ccc1-c1nc2cc(C(C)(C)CNC=O)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 12/20 0.43
▸ ADORA2B P29275 1/20 0.41
▸ FGFR1 P11362 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KLF5 Q13887 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL10574102 0.92 AMY1A (0.50) AMY1AADORA2BNR1I2PDE5APDE3B
SCHEMBL10580104 0.87 PDE5A (0.45) AMY1AFGFR1PDE5ANPC1RAB9A
SCHEMBL10577353 0.87 NPC1 (0.37) AMY1APDE5APDE3BPDE3ANPC1
SCHEMBL10579306 0.86 CDK4 (0.38) AMY1ANR1I2PDE5APDE3BPDE3A
SCHEMBL10575604 0.85 PDE5A (0.34) AMY1APDE5APDE3BPDE3ANPC1
SCHEMBL10574074 0.84 AMY1A (0.47) AMY1AADORA2BFGFR1NR1I2
SCHEMBL10578691 0.83 GUSB (0.43) NPC1RAB9ATDP1KDM4EMEN1
SCHEMBL10578360 0.82 AMY1A (0.34) AMY1ANPC1RAB9A
SCHEMBL10576075 0.81 ALOX5 (0.47) AMY1APOLBKDM4EMEN1MAPT
SCHEMBL10572968 0.81 NPC1 (0.35) AMY1ANR1I2NPC1RAB9AKDM4E

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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