SCHEMBL4224092

SCHEMBL4224092

Cc1ccsc1NC(=O)NC(CCCN(C)C)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.44
HDAC3 O15379 9/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC2 Q92769 7/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR1 O75376 1/20 0.35
MAPK1 P28482 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
SCHEMBL2384055 0.88 HDAC3 (0.41) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL3231734 0.88 UTS2R (0.42) UTS2RMAPK1
SCHEMBL4229478 0.87 HDAC3 (0.41) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL2386015 0.85 HDAC3 (0.43) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL4225186 0.85 HDAC3 (0.46) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL2385454 0.83 UTS2R (0.45) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL2386741 0.83 HDAC3 (0.43) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL4224028 0.83 UTS2R (0.43) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL2385731 0.83 UTS2R (0.46) UTS2RHDAC3HDAC1HDAC8HDAC2
SCHEMBL4227690 0.82 HDAC4 (0.48) UTS2RHDAC3HDAC1HDAC8HDAC2

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
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed