SCHEMBL11033671

SCHEMBL11033671

S=C(NCc1ccccc1)SCl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.67
ALOX12 P18054 4/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
GAA P10253 3/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL3068149 0.83 IDO1 (0.71) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL215514 0.83 IDO1 (0.71) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL12132229 0.80 IDO1 (0.67) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL2794062 0.80 IDO1 (1.00) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL26963101 0.78 IDO1 (0.65) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL23878394 0.77 IDO1 (0.62) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL23878395 0.77 IDO1 (0.62) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL11833033 0.77 IDO1 (0.62) IDO1ALOX12ALDH1A1HPGDGAA
Ammonia Solution, Strong SCHEMBL23878421 0.77 IDO1 (0.62) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL20601197 0.77 IDO1 (0.62) IDO1ALOX12ALDH1A1HPGDGAA

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-4493726-A PLANT SAFENING AGENT CIBA GEIGY CORPORATION (US) 1985-01-15 US disclosed