SCHEMBL10460741

SCHEMBL10460741

O=S(=O)(NCCc1ccc(CCO)cc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 1/20 0.66
TBXA2R P21731 1/20 0.63
TBXAS1 P24557 1/20 0.63
PRMT1 Q99873 2/20 0.62
TAAR1 Q96RJ0 1/20 0.62
HSD17B10 Q99714 1/20 0.62
AKR1C3 P42330 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL412302 0.88 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL11340654 0.87 ALDH1A1 (0.69) ALDH1A1CA1CA2TDP1MAPT
Hydrochloric Acid SCHEMBL3517769 0.86 ALDH1A1 (0.77) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL10460235 0.84 MEN1 (0.73) ALDH1A1MAPTTBXA2RPRMT1AKR1C3
SCHEMBL10463511 0.84 TAAR1 (0.72) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL11108949 0.84 AKR1C3 (0.72) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL11109404 0.84 ALDH1A1 (0.91) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL10461554 0.84 TBXA2R (0.76) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL14156120 0.83 ALDH1A1 (0.84) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL6804085 0.83 PRMT1 (0.88) ALDH1A1CA1CA2TDP1MAPT

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