SCHEMBL7657257

SCHEMBL7657257

Cc1cc(N2CCC(CN3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)nc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.52
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TPSAB1 Q15661 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NSD2 O96028 1/20 0.40
APAF1 O14727 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NOD2 Q9HC29 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL7662005 0.90 HTR7 (0.49) LSSKMT2AKDM4EMEN1TPSAB1
SCHEMBL7660934 0.86 LSS (0.48) LSSKMT2AKDM4EMEN1TPSAB1
SCHEMBL6975859 0.79 LSS (0.71) LSSALDH1A1HPGD
SCHEMBL7653537 0.76 LSS (0.66) LSSTPSAB1SMN1; SMN2ALDH1A1GAA
SCHEMBL7662786 0.74 LSS (0.53) LSSTPSAB1ALDH1A1PKM
SCHEMBL7682080 0.73 LSS (0.54) LSSKMT2AKDM4EMEN1ALDH1A1
SCHEMBL22032750 0.73 MEN1 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7651857 0.72 LSS (0.50) LSSTPSAB1SMN1; SMN2ALDH1A1PKM
SCHEMBL7650545 0.72 CNR1 (0.64) LSSKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7651807 0.72 LSS (0.61) LSSKMT2AKDM4EMEN1SMN1; SMN2

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
US-6335341-B1 ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 2002-01-01 US disclosed