SCHEMBL13646255

SCHEMBL13646255

Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCC(O)CC2)C(=O)Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.51
HDAC2 Q92769 2/20 0.49
KDM1A O60341 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 2/20 0.43
HDAC3 O15379 3/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL2475910 0.93 HDAC1 (0.50) HDAC1HDAC2KDM1AALDH1A1LMNA
SCHEMBL2475826 0.93 HDAC1 (0.53) HDAC1HDAC2ALDH1A1LMNARAB9A
SCHEMBL2506731 0.92 ALDH1A1 (0.54) HDAC1HDAC2ALDH1A1LMNARAB9A
SCHEMBL4393216 0.91 HDAC1 (0.52) HDAC1HDAC2ALDH1A1LMNARAB9A
SCHEMBL3835767 0.88 HDAC1 (0.56) HDAC1HDAC2ALDH1A1LMNARAB9A
SCHEMBL2475440 0.88 KDM1A (0.54) HDAC1HDAC2KDM1AHSD17B10HDAC3
SCHEMBL3834058 0.87 KDM1A (0.41) KDM1AALDH1A1LMNARAB9ATP53
SCHEMBL3835176 0.87 ALDH1A1 (0.56) HDAC1HDAC2ALDH1A1LMNARAB9A
SCHEMBL2473986 0.87 HDAC1 (0.59) HDAC1HDAC2ALDH1A1LMNARAB9A
SCHEMBL2474439 0.86 HDAC1 (0.53) HDAC1HDAC2ALDH1A1LMNARAB9A

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-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed