SCHEMBL3399428

SCHEMBL3399428

Cc1cc(C#N)ccc1-c1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
EGLN2 Q96KS0 5/20 0.38
CCNK O75909 8/20 0.38
CDK12 Q9NYV4 8/20 0.38
CDK7 P50613 7/20 0.38
CCNH P51946 7/20 0.38
MNAT1 P51948 6/20 0.38
CCNT1 O60563 3/20 0.38
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
CDK9 P50750 3/20 0.38
TRPV4 Q9HBA0 1/20 0.37
LRRK2 Q5S007 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
NSD2 O96028 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
SCHEMBL3366225 0.85 HSP90AB1 (0.44) CYP11B1CYP11B2EGLN2CCNKCDK12
SCHEMBL3361910 0.83 CYP11B2 (0.42) CYP11B1CYP11B2EGLN2
SCHEMBL3364557 0.82 CSNK1A1 (0.43) CYP11B1CYP11B2EGLN2
SCHEMBL21178905 0.78 CCNK (0.60) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL30007191 0.78 CCNK (0.60) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25552036 0.75 PDK1 (0.41) CYP11B1CYP11B2EGLN2SLC22A12NSD2
SCHEMBL30037562 0.75 PDK1 (0.41) CYP11B1CYP11B2EGLN2SLC22A12NSD2
SCHEMBL3813659 0.72 AR (0.39) LRRK2
SCHEMBL25519458 0.72 EGLN2 (0.41) CYP11B1CYP11B2EGLN2TRPV4SLC22A12
SCHEMBL21184412 0.71 DGAT1 (0.38) CCNKCDK12CDK7CCNHMNAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed