SCHEMBL9869870

SCHEMBL9869870

CN1CSc2ccccc21.c1ccc2c(c1)NCS2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
BRPF1 P55201 1/20 0.35
MAOA P21397 1/20 0.34
NPC1 O15118 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM1A O60341 3/20 0.31
HSD17B3 P37058 1/20 0.31

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
SCHEMBL627227 0.83 MAOA (0.46) ALDH1A1MEN1KMT2AGAAMAOA
Iodide SCHEMBL2234376 0.81 MAOA (0.45) ALDH1A1MEN1KMT2AGAAMAOA
Bromide SCHEMBL9694609 0.81 MAOA (0.45) ALDH1A1MEN1KMT2AGAAMAOA
Hydrochloric Acid SCHEMBL11512355 0.81 MAOA (0.45) ALDH1A1MEN1KMT2AMAOANOTUM
Iodide SCHEMBL9188780 0.81 MAOA (0.45) ALDH1A1MEN1KMT2AGAAMAOA
Hydrochloric Acid SCHEMBL29051623 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAAMAOA
Bromide SCHEMBL11683988 0.77 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AGAAMAOA
SCHEMBL31147098 0.76 MAOA (0.41) ALDH1A1MEN1KMT2AMAOANOTUM
Thiourea SCHEMBL11590550 0.73 NOTUM (0.39) ALDH1A1MEN1KMT2AMAOANOTUM
SCHEMBL10746777 0.73 NOTUM (0.42) ALDH1A1MEN1KMT2AMAOANOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US disclosed
WO-1982000142-A1 PROSTAGLANDINS JONES R 1982-01-21 WO disclosed