SCHEMBL4222636

SCHEMBL4222636

Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)Nc2ccc(N3CCOCC3)nc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
HDAC1 Q13547 7/20 0.43
NPC1 O15118 2/20 0.43
HDAC3 O15379 6/20 0.42
HDAC8 Q9BY41 4/20 0.42
CYP1A2 P05177 2/20 0.42
PIK3CA P42336 1/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
DGAT1 O75907 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC6 Q9UBN7 1/20 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
SCHEMBL2386711 0.88 EPHX2 (0.49) HDAC1HDAC3HDAC8CYP1A2HDAC2
SCHEMBL4233200 0.88 HDAC3 (0.41) HDAC1HDAC3HDAC8CYP1A2PIK3CA
SCHEMBL4224300 0.87 RAB9A (0.41) RAB9ANPC1CYP1A2DGAT1LMNA
SCHEMBL4233251 0.87 HDAC1 (0.39) HDAC1HDAC3HDAC8CYP1A2PIK3CA
SCHEMBL4224540 0.86 EPHX2 (0.48) HDAC1HDAC3HDAC8CYP1A2HDAC2
SCHEMBL4364256 0.86 EPHX2 (0.44) HDAC1LMNAMAPT
SCHEMBL4228671 0.85 HDAC1 (0.41) HDAC1HDAC3HDAC8CYP1A2HDAC2
SCHEMBL4222628 0.84 HDAC1 (0.38) HDAC1HDAC3HDAC8CYP1A2PIK3CA
SCHEMBL4229364 0.84 HDAC1 (0.40) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4234525 0.83 HDAC1 (0.41) HDAC1HDAC3HDAC8HDAC2HDAC10

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