SCHEMBL11136359

SCHEMBL11136359

Cc1cc(Cl)ccc1NC(=S)NC(=N)N

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.67
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 4/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.52
THRB P10828 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 3/20 0.51
ALOX12 P18054 2/20 0.51
HTT P42858 2/20 0.49
ALPL P05186 1/20 0.49
HPGD P15428 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
SCHEMBL11140033 0.88 GAA (0.68) NOX1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL11420450 0.84 NOX1 (0.53) NOX1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL11136324 0.84 ALDH1A1 (0.59) SMN1; SMN2MAPTALDH1A1GAANPC1
SCHEMBL11143189 0.84 RAB9A (0.57) SMN1; SMN2MAPTALDH1A1GAANPC1
SCHEMBL6929125 0.84 GAA (0.70) NOX1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL10592729 0.84 NOX1 (0.59) NOX1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL11056083 0.82 MAPK1 (0.51) NOX1POLBSMN1; SMN2ALDH1A1GAA
SCHEMBL11140664 0.82 ALDH1A1 (0.58) NOX1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL11140703 0.82 NOX1 (0.47) NOX1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL11140578 0.81 IDO1 (0.66) NOX1POLBSMN1; SMN2MAPTALDH1A1

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-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 US disclosed