SCHEMBL4228671

SCHEMBL4228671

Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)Nc2ccccn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.41
HDAC3 O15379 6/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
FLT3 P36888 1/20 0.39
GRM4 Q14833 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASR P41180 1/20 0.38
BCL3 P20749 1/20 0.38

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
SCHEMBL4233200 0.89 HDAC3 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL2386711 0.88 EPHX2 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4235025 0.87 CASR (0.46) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4224550 0.87 JAK2 (0.38) GRM4CYP1A2POLBCYP3A4CYP2C9
SCHEMBL4229364 0.87 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4233251 0.86 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4234525 0.86 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4224540 0.85 EPHX2 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4364256 0.85 EPHX2 (0.44) HDAC1KCNH2
SCHEMBL4222636 0.85 RAB9A (0.44) 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