SCHEMBL10532201

SCHEMBL10532201

Oc1ccc2nc(SC3CCCC3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MAOA P21397 1/20 0.50
HTT P42858 3/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TXN P10599 1/20 0.46
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL10533330 0.83 NPC1 (0.70) MAOBMAOAHTTGAAL3MBTL1
SCHEMBL23295264 0.78 TXN (0.70) MAOBHTTGAAL3MBTL1TSHR
SCHEMBL368458 0.77 TXN (0.73) MAOBHTTGAAL3MBTL1TSHR
SCHEMBL2675923 0.74 KEAP1 (0.65) HTTGAAL3MBTL1NPC1RAB9A
SCHEMBL2317473 0.74 HTT (0.61) MAOBHTTGAAL3MBTL1HSD17B1
SCHEMBL10829958 0.70 DYRK1A (0.56) MAOBHTTGAAL3MBTL1HSD17B1
SCHEMBL8357714 0.70 HTT (0.50) MAOBHTTGAAL3MBTL1NPC1
SCHEMBL14685302 0.70 AR (0.41) MAOBMAOAHTTGAAL3MBTL1
SCHEMBL11589696 0.70 MAOB (0.43) MAOBMAOAHTTGAAL3MBTL1
SCHEMBL8359657 0.70 MAOB (0.57) MAOBMAOAHTTGAAL3MBTL1

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-4873346-A BRONCHODILATORS, TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1989-10-10 US disclosed