SCHEMBL9260245

SCHEMBL9260245

O=C(O)N1Cc2ccccc2[S+]([O-])c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 6/20 0.46
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ HDAC8 Q9BY41 3/20 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
SCHEMBL9258791 0.71 HSD17B3 (0.56) HSD17B3MAPTALDH1A1MEN1PMP22
SCHEMBL676665 0.71 MEN1 (0.69) HSD17B3MAPTALDH1A1MEN1CYP1A2
SCHEMBL24439313 0.70 HSD17B3 (0.41) HSD17B3MAPTSMN1; SMN2NOTUM
SCHEMBL11751062 0.70 HTT (0.39) HSD17B3MAPTALDH1A1MEN1CYP1A2
SCHEMBL11516655 0.70 CA1 (0.33) HSD17B3ALDH1A1CYP1A2
SCHEMBL37076 0.70 CA1 (0.33) HSD17B3ALDH1A1CYP1A2
Hydrazine SCHEMBL11827760 0.69 MEN1 (0.66) HSD17B3MAPTALDH1A1MEN1CYP1A2
SCHEMBL23051919 0.67 OPRK1 (0.35) MAPTALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11375504 0.67 BCHE (0.44) MAPTALDH1A1MEN1KMT2A
SCHEMBL1155668 0.67 DRD2 (0.35) HSD17B3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393747-A Substituted dibenzoxazepine compounds for the treatment of convulsions, ischemia and other diseases responsive to prostaglandin-E2 antagonists G. D. SEARLE & CO. (US) 1995-02-28 — — US disclosed
EP-0583408-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 — — EP disclosed
US-5283240-A Administering prostaglandin antagonists G. D. SEARLE & CO. (US) 1994-02-01 — — US disclosed
US-5182272-A 8-substituted-dibenz[b,f][1,4]oxazepine-10(11)-carboxylic acid, substituted hydrazides, pharmaceutical compositions, and methods for treating pain G. D. SEARLE & CO. (US) 1993-01-26 — — US disclosed
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 — — WO disclosed
EP-0512399-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 — — EP disclosed
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