SCHEMBL4227992

SCHEMBL4227992

CN(C)CCCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.42
HDAC1 Q13547 6/20 0.42
UTS2R Q9UKP6 6/20 0.42
HDAC8 Q9BY41 3/20 0.42
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 2/20 0.40

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
SCHEMBL2474633 0.89 UTS2R (0.45) HDAC3HDAC1UTS2RNPC1RAB9A
SCHEMBL3218944 0.88 NPC1 (0.40) UTS2RNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3230138 0.87 UTS2R (0.47) HDAC3HDAC1UTS2RHDAC8HDAC2
SCHEMBL2385454 0.86 UTS2R (0.45) HDAC3HDAC1UTS2RHDAC8HDAC2
SCHEMBL2386741 0.86 HDAC3 (0.43) HDAC3HDAC1UTS2RHDAC8NPC1
SCHEMBL4224028 0.86 UTS2R (0.43) HDAC3HDAC1UTS2RHDAC8SMN1; SMN2
SCHEMBL2384389 0.85 HDAC1 (0.47) HDAC3HDAC1UTS2RHDAC8HDAC2
SCHEMBL2385632 0.85 UTS2R (0.43) HDAC3HDAC1UTS2RHDAC8HDAC2
SCHEMBL3229763 0.84 HDAC1 (0.47) HDAC3HDAC1UTS2RHDAC8NPC1
SCHEMBL2384770 0.84 UTS2R (0.54) HDAC3HDAC1UTS2RHDAC8HDAC2

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