SCHEMBL6217035

SCHEMBL6217035

COc1ccc(O)c(C2N(C(C)=O)c3ccc(Cl)cc3[S+]2[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B3 P37058 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ FADS1 O60427 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ P2RX1 P51575 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAOA P21397 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL4486769 0.78 CYP3A4 (0.39) MAOBL3MBTL1MAPTNPC1MEN1
Hydrochloric Acid SCHEMBL6216834 0.77 CYP3A4 (0.34) L3MBTL1MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4515785 0.74 F2 (0.32) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL4341830 0.74 BCHE (0.38) HSD17B3L3MBTL1MAPTNPC1MEN1
Hydrochloric Acid SCHEMBL4509026 0.74 CYP3A4 (0.31) MAPTKMT2AALDH1A1CYP3A4TP53
SCHEMBL4354365 0.72 BCHE (0.40) HSD17B3L3MBTL1MAPTNPC1MEN1
SCHEMBL4522630 0.69 CYP3A4 (0.32) L3MBTL1MAPTALDH1A1CYP3A4TP53
SCHEMBL10674390 0.65 LMNA (0.43) USP2L3MBTL1MAPTNPC1MEN1
SCHEMBL4345823 0.63 CYP3A4 (0.42) HSD17B3L3MBTL1MAPTNPC1MEN1
SCHEMBL5837144 0.62 BRD4 (0.68) CYP3A4CYP2C19

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
EP-1496053-A1 KAPPA-OPIOID RECEPTOR AGONIST COMPRISING 2-PHENYLBENZOTHIAZOLINE DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-12 — — EP disclosed
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