SCHEMBL10688693

SCHEMBL10688693

COc1cc(C#N)ccc1-c1nc2c(=O)[nH]c(Cl)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DHODH Q02127 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
MAPK10 P53779 1/20 0.38
PDE5A O76074 3/20 0.37
PARP1 P09874 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TDP2 O95551 1/20 0.36
AMY1A P0DUB6 1/20 0.36
PDE2A O00408 1/20 0.36
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 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
SCHEMBL10688386 0.83 FASN (0.47) IDH1PIM1PIM2DHODHEGLN2
SCHEMBL10690944 0.82 EGLN2 (0.39) IDH1PIM1CSNK2A2CSNK2BPIM3
SCHEMBL5651808 0.77 RHEB (0.61) AMY1AMEN1KMT2A
SCHEMBL10690686 0.74 EGLN2 (0.39) IDH1EGLN2PDE5ACYP11B1CYP11B2
SCHEMBL10673698 0.73 PDE5A (0.48) EGLN2PDE5ACYP11B1CYP11B2AMY1A
SCHEMBL10687648 0.73 ADORA2B (0.44) IDH1EGLN2MAPK10CYP11B1CYP11B2
SCHEMBL10742540 0.71 PDE2A (0.70) PDE5APDE2APDE3BPDE3AKDM4E
SCHEMBL10745392 0.70 PDE2A (0.47) EGLN2PDE5ACYP11B1CYP11B2PDE2A
SCHEMBL10373620 0.70 PDE3B (0.48) MAPK10PDE5AAMY1APDE3BPDE3A
SCHEMBL10692684 0.69 ADORA2B (0.46) DHODHPDE5AAMY1APDE2APDE3B

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-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 EP disclosed