SCHEMBL11208501

SCHEMBL11208501

OC(=S)c1ccccc1O.[Fe]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.54
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CA1 P00915 3/20 0.54
CA9 Q16790 3/20 0.54
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA14 Q9ULX7 2/20 0.54
HMGB1 P09429 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HSD17B10 Q99714 7/20 0.47
MAPT P10636 5/20 0.47
ALOX15 P16050 4/20 0.47
POLB P06746 2/20 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
SCHEMBL30043535 0.97 HPGD (0.56) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL61048 0.97 HPGD (0.56) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL11209269 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL9017599 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL3626932 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL11206696 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL10726307 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL11210054 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL9335124 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL430368 0.95 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; 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
EP-0037318-B1 COMPOSITION, PARTICULARLY USEFUL IN THE TREATMENT AND PREVENTION OF DANDRUFF AND CONTAINING METALLIC DERIVATIVES OF THIOBENZOIC ACID PIERRE FABRE S.A. (FR) 1983-04-06 EP claimed