SCHEMBL2148044

SCHEMBL2148044

Cc1nc2ccccc2s1.[Ti]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ FBP1 P09467 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ MC5R P33032 1/20 0.52
▸ OPRM1 P35372 1/20 0.52

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
SCHEMBL55837 0.98 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL4408280 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL10665140 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Iodide SCHEMBL27877861 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL7776250 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL30074811 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Water SCHEMBL28902586 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Bromide SCHEMBL887893 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Iodide SCHEMBL4618865 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Iodide SCHEMBL27877860 0.95 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10

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
WO-2011088990-A1 ETHYLENE POLYMERISATION SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2011-07-28 — — WO disclosed
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