SCHEMBL15701128

SCHEMBL15701128

CC(C)C(C(=O)N(C)c1ccc(NC(=O)c2cscn2)nc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 18/20 0.47
LMNA P02545 2/20 0.41
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15701043 0.81 FFAR2 (0.61) FFAR2LMNAHDAC1MEN1KMT2A
SCHEMBL19446696 0.81 FFAR2 (0.61) FFAR2LMNAHDAC1MEN1KMT2A
SCHEMBL15701044 0.81 FFAR2 (0.61) FFAR2LMNAHDAC1MEN1KMT2A
SCHEMBL15701037 0.74 NPC1 (0.48) FFAR2LMNAHDAC1MEN1KMT2A
SCHEMBL15701233 0.74 NPC1 (0.48) FFAR2LMNAHDAC1MEN1KMT2A
SCHEMBL15701054 0.74 NPC1 (0.48) FFAR2LMNAHDAC1MEN1KMT2A
SCHEMBL470927 0.70 RAB9A (0.58) LMNAKMT2A
SCHEMBL17148404 0.69 RAB9A (0.42) FFAR2LMNAMEN1KMT2A
SCHEMBL15701131 0.68 ALDH1A1 (0.43) FFAR2LMNAMEN1KMT2A
SCHEMBL19446769 0.68 MAP3K5 (0.49) LMNAMEN1KMT2A

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-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 WO disclosed