SCHEMBL10690944

SCHEMBL10690944

COc1cc(C#N)ccc1-c1nc2c(=O)[nH]ncc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
IDH1 O75874 1/20 0.38
MAPK10 P53779 1/20 0.38
PDE5A O76074 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
DHODH Q02127 1/20 0.37
PARP1 P09874 1/20 0.37
TDP2 O95551 2/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
ROCK2 O75116 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
SCHEMBL10688386 0.83 FASN (0.47) EGLN2CYP11B1CYP11B2IDH1MAPK10
SCHEMBL10692684 0.83 ADORA2B (0.46) PDE5APDE3BPDE3ADHODHPDE2A
SCHEMBL10688606 0.83 PDE7A (0.48) PDE5APDE3BPDE3ADHODHPARP1
SCHEMBL10693845 0.83 GAA (0.43) PDE5APDE3BPDE3ADHODHPARP1
SCHEMBL10688693 0.82 IDH1 (0.42) EGLN2CYP11B1CYP11B2IDH1MAPK10
SCHEMBL10688582 0.81 PDE5A (0.38) PDE5APDE3BPDE3ADHODHPARP1
SCHEMBL10686161 0.80 CDK4 (0.42) CYP11B1CYP11B2PDE5APDE3BPDE3A
SCHEMBL10869682 0.79 KDM4E (0.43) PDE5ADHODHPARP1PDE2AKDM4E
SCHEMBL10691563 0.79 CA2 (0.42) PDE5APDE3BPDE3ADHODHPARP1
SCHEMBL10686472 0.79 PDE5A (0.37) PDE5APDE3BPDE3ADHODHPARP1

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