SCHEMBL10463157

SCHEMBL10463157

CC(C)c1ccc(S(=O)(=O)NCCc2ccc(CCO)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
F10 P00742 4/20 0.58
PRSS1 P07477 3/20 0.58
PRSS2 P07478 3/20 0.58
PRSS3 P35030 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
TBXA2R P21731 1/20 0.52
PRMT1 Q99873 1/20 0.51

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
SCHEMBL6565074 0.85 ALDH1A1 (0.64) RAB9AALDH1A1MEN1KMT2AF10
SCHEMBL10460339 0.85 RAB9A (0.61) RAB9AALDH1A1MEN1KMT2AF10
SCHEMBL7039693 0.85 ALDH1A1 (0.58) RAB9AALDH1A1F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL6565204 0.84 ALDH1A1 (0.62) RAB9AALDH1A1MEN1KMT2AF10
SCHEMBL10460235 0.84 MEN1 (0.73) ALDH1A1MEN1KMT2ASMN1; SMN2TBXA2R
SCHEMBL15801264 0.82 ALDH1A1 (0.55) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10463511 0.81 TAAR1 (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL10462759 0.81 MEN1 (0.64) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10460741 0.80 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL10461753 0.80 ALDH1A1 (0.86) ALDH1A1MEN1KMT2ASMN1; SMN2CA1

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