SCHEMBL7657018

SCHEMBL7657018

Cc1cc(Cl)ccc1NCCCNC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
CASP6 P55212 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 1/20 0.39
ALOX12 P18054 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL7655781 0.88 NSD2 (0.44) NSD2CASP6SMN1; SMN2ALDH1A1MEN1
SCHEMBL7654647 0.82 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ANOX1
SCHEMBL7650131 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL7655830 0.79 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ANOX1
SCHEMBL7655919 0.79 FERMT2 (0.52) SMN1; SMN2NOX1MAPTHTTGAA
SCHEMBL7655772 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ANOX1
Bromide SCHEMBL7657001 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ANOX1
SCHEMBL23182885 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11246752 0.76 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MEN1KMT2ANOX1
SCHEMBL18622660 0.75 FERMT2 (0.50) SMN1; SMN2ALDH1A1CYP1A2CYP2D6NOX1

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
US-6340687-B1 ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed
WO-1999011630-A1 SUBSTITUTED TETRAHYDRO-PYRIMIDINE-2(1H)-THIONE HDL-C ELEVATORS USEFUL AS ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 WO disclosed