SCHEMBL10462136

SCHEMBL10462136

CCOC(=O)CCCc1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
PPARG P37231 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
SGMS1 Q86VZ5 1/20 0.49
MAPT P10636 1/20 0.49
IDO1 P14902 1/20 0.48
CYP4Z1 Q86W10 1/20 0.47
CYP4F11 Q9HBI6 1/20 0.47
CYP4F12 Q9HCS2 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL10462580 0.89 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10462371 0.88 TBXA2R (0.59) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL10463160 0.88 ALDH1A1 (0.53) RAB9AALDH1A1MEN1KMT2AGAA
SCHEMBL15232772 0.85 GAA (0.58) RAB9AALDH1A1MEN1KMT2AGAA
SCHEMBL10463612 0.85 RAB9A (0.55) RAB9AALDH1A1MEN1KMT2AGAA
SCHEMBL2291044 0.83 CYP4F2 (0.58) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL10460376 0.83 RECQL (0.49) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10460671 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL10461981 0.81 TBXA2R (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL11106768 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNASMN1; 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-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed