SCHEMBL10686161

SCHEMBL10686161

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
BRD4 O60885 1/20 0.38
GCK P35557 1/20 0.38
PDE5A O76074 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
DHODH Q02127 1/20 0.37
TEK Q02763 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPBWR1 P48145 1/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL10691563 0.90 CA2 (0.42) PDE5APDE3BPDE3ASMN1; SMN2DHODH
SCHEMBL10691722 0.90 MEN1 (0.38) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10691729 0.88 MEN1 (0.41) PDE5APDE3BPDE3ASMN1; SMN2DHODH
SCHEMBL10689653 0.88 MAPT (0.45) PDE5APDE3BPDE3ASMN1; SMN2DHODH
SCHEMBL10853450 0.83 CDK4 (0.40) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10693845 0.83 GAA (0.43) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10692684 0.83 ADORA2B (0.46) PDE5APDE3BPDE3ASMN1; SMN2DHODH
SCHEMBL10688606 0.83 PDE7A (0.48) CDK2PDE5APDE3BPDE3ADHODH
SCHEMBL10686472 0.81 PDE5A (0.37) PDE5APDE3BPDE3ASMN1; SMN2DHODH
SCHEMBL10688582 0.81 PDE5A (0.38) PDE5APDE3BPDE3ASMN1; SMN2DHODH

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