SCHEMBL9681283

SCHEMBL9681283

CN1c2ccccc2Sc2ccc(C(=O)C(C)(C)N3CCOCC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ NOX1 Q9Y5S8 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ BCHE P06276 3/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MARK4 Q96L34 2/20 0.44
▸ MAOA P21397 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL9680486 0.86 SMN1; SMN2 (0.54) MAPK1LMNAMAPTTDP1L3MBTL1
SCHEMBL10887887 0.81 ALDH1A1 (0.58) MAPK1LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL10717258 0.81 ALDH1A1 (0.49) MAPK1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12205867 0.81 ALDH1A1 (0.49) MAPK1MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9680429 0.81 ALDH1A1 (0.49) MAPK1MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9681241 0.81 SMN1; SMN2 (0.49) MAPK1L3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10885245 0.78 ALDH1A1 (0.54) MAPK1LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL10886205 0.78 ALDH1A1 (0.54) MAPK1LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL10884968 0.78 ALDH1A1 (0.49) MAPK1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9680452 0.76 ALDH1A1 (0.49) MAPK1L3MBTL1ALDH1A1SMN1; SMN2TSHR

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 — — US disclosed
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