SCHEMBL13569887

SCHEMBL13569887

C=C(Nc1ccc2c(c1)OCCO2)N(CCCCCN1CCOCC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 7/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 3/20 0.39
USP2 O75604 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
EPHX2 P34913 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 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
SCHEMBL13569365 0.99 LMNA (0.44) LMNAALDH1A1TP53RAB9APOLB
SCHEMBL13570012 0.94 HDAC1 (0.42) LMNAALDH1A1TP53RAB9APOLB
SCHEMBL13569943 0.94 LMNA (0.45) LMNAALDH1A1TP53RAB9APOLB
SCHEMBL4228729 0.93 ALDH1A1 (0.47) LMNAALDH1A1TP53RAB9APOLB
SCHEMBL2386861 0.92 ALDH1A1 (0.47) LMNAALDH1A1TP53RAB9APOLB
SCHEMBL13569999 0.90 HDAC1 (0.43) LMNAALDH1A1HDAC1HSD17B10TSHR
SCHEMBL4232494 0.90 ALDH1A1 (0.49) LMNAALDH1A1TP53RAB9APOLB
SCHEMBL13585891 0.90 NAMPT (0.40) LMNAALDH1A1HDAC1KDM4EHPGD
SCHEMBL13569946 0.89 KDM4E (0.44) ALDH1A1RAB9APOLBHDAC1KDM4E
SCHEMBL13569958 0.88 LMNA (0.49) LMNAALDH1A1TP53HDAC1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed