SCHEMBL13569733

SCHEMBL13569733

C=C(Nc1ccc(C)cc1)N(CCCCN1CCOCC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 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
SCHEMBL4224136 0.93 USP2 (0.52) LMNAHDAC1HDAC3HDAC2USP2
SCHEMBL13585619 0.92 KMT2A (0.49) LMNAHDAC1HDAC3HDAC2USP2
SCHEMBL13569890 0.92 LMNA (0.49) LMNAHDAC1HDAC3HDAC2USP2
SCHEMBL13569951 0.92 USP2 (0.46) LMNAHDAC1HDAC3HDAC2USP2
SCHEMBL13569958 0.92 LMNA (0.49) LMNAHDAC1HDAC3HDAC2USP2
SCHEMBL13569894 0.92 KMT2A (0.49) LMNAHDAC1HDAC3HDAC2USP2
SCHEMBL13569966 0.91 USP2 (0.46) LMNAHDAC1HDAC3HDAC2USP2
SCHEMBL13569366 0.90 USP2 (0.45) HDAC1HDAC3HDAC2USP2ALDH1A1
SCHEMBL13570025 0.90 HDAC1 (0.47) LMNAHDAC1HDAC3HDAC2ALDH1A1
SCHEMBL13585741 0.90 ALDH1A1 (0.49) LMNAHDAC1HDAC3HDAC2USP2

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