SCHEMBL7655830

SCHEMBL7655830

Cc1cc(Cl)ccc1NCCCBr

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
NOX1 Q9Y5S8 1/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CCR1 P32246 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 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
Bromide SCHEMBL7657001 0.98 SMN1; SMN2 (0.43) SMN1; SMN2NOX1GAAMAPTALDH1A1
SCHEMBL7654407 0.86 GAA (0.46) GAAMAPTALDH1A1CCR1POLB
SCHEMBL7655919 0.83 FERMT2 (0.52) SMN1; SMN2NOX1GAAMAPTHTT
SCHEMBL7655772 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NOX1GAAMAPTALDH1A1
SCHEMBL23182885 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NOX1GAAMAPTALDH1A1
SCHEMBL11246752 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NOX1GAAMAPTALDH1A1
SCHEMBL7650131 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NOX1GAAMAPTALDH1A1
SCHEMBL7657018 0.79 NSD2 (0.44) SMN1; SMN2NOX1GAAMAPTALDH1A1
SCHEMBL18622660 0.79 FERMT2 (0.50) SMN1; SMN2NOX1GAAMAPTALDH1A1
SCHEMBL7654647 0.76 SMN1; SMN2 (0.40) SMN1; SMN2NOX1GAAMAPTALDH1A1

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