SCHEMBL4229364

SCHEMBL4229364

Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)NN2CCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.40
HDAC3 O15379 7/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
BCL3 P20749 1/20 0.38
KCNH2 Q12809 2/20 0.37
ROCK2 O75116 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4224516 0.97 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4234525 0.87 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4228671 0.87 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4233200 0.87 HDAC3 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4220624 0.86 CD274 (0.38) BCL3POLB
SCHEMBL2385365 0.85 POLB (0.43) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4233251 0.85 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL2383602 0.85 MAPT (0.43) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL2386711 0.85 EPHX2 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4379718 0.85 EPHX2 (0.42) HDAC1HDAC3HDAC2HDAC8HDAC10

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