SCHEMBL7848641

SCHEMBL7848641

NC1CCCCC1NC(=O)CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.45
EPHX1 P07099 2/20 0.44
EPHX2 P34913 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CA9 Q16790 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
BTK Q06187 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 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
SCHEMBL9637883 0.81 EPHX2 (0.62) ALDH1A1KMT2AEPHX2CA12CA1
SCHEMBL7371442 0.79 EPHX2 (0.64) LMNAALDH1A1KMT2AEPHX1EPHX2
SCHEMBL4116189 0.74 HDAC4 (0.52) CA12CA1CA2MMP2MMP9
SCHEMBL4711538 0.74 HDAC4 (0.52) CA12CA1CA2MMP2MMP9
SCHEMBL4760506 0.74 HDAC4 (0.52) CA12CA1CA2MMP2MMP9
SCHEMBL9701078 0.74 HDAC4 (0.52) CA12CA1CA2MMP2MMP9
SCHEMBL9539183 0.72 MMP2 (0.53) LMNAALDH1A1GAAKDM4EKMT2A
SCHEMBL14851122 0.72 SMN1; SMN2 (0.56) LMNAALDH1A1GAAKMT2AEPHX2
SCHEMBL14855962 0.72 SMN1; SMN2 (0.56) LMNAALDH1A1GAAKMT2AEPHX2
SCHEMBL4064616 0.71 ALDH1A1 (0.51) LMNAALDH1A1GAASMN1; SMN2SYK

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-1091932-A1 CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION Societa' Cooperativa Centro Ricerche Poly-Tech a Responsabilita' Limitata (IT) 2001-04-18 EP disclosed
WO-2000000464-A1 CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION SOCIETA' COOPERATIVA CENTRO RICERCHE POLY-TECH A RESPONSABILITA' LIMITATA (IT) 2000-01-06 WO disclosed