SCHEMBL8968574

SCHEMBL8968574

O=S1(=O)NCc2cc(NCc3ccccc3)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
HSD17B3 P37058 1/20 0.40
MAOB P27338 2/20 0.40
IP6K1 Q92551 1/20 0.39
HTT P42858 1/20 0.39
DHFR P00374 1/20 0.39
NTRK1 P04629 1/20 0.38
HDAC1 Q13547 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
AR P10275 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL8967825 0.81 HAO1 (0.46) MAOAPTPN1PTPN11HAO1HSD17B3
SCHEMBL9537636 0.80 HAO1 (0.47) MAOAPTPN1PTPN11HAO1MAOB
Hydrochloric Acid SCHEMBL8968011 0.80 HAO1 (0.45) MAOAPTPN1PTPN11HAO1HSD17B3
Hydrochloric Acid SCHEMBL8967902 0.79 HAO1 (0.46) MAOAPTPN1PTPN11HAO1MAOB
Hydrochloric Acid SCHEMBL8968395 0.78 MAOA (0.43) MAOAPTPN1PTPN11HAO1HSD17B3
Hydrochloric Acid SCHEMBL8968318 0.75 HSD17B3 (0.44) MAOAPTPN1PTPN11HAO1HSD17B3
SCHEMBL8968516 0.75 ALDH1A1 (0.44) MAOAPTPN1PTPN11HAO1MAOB
SCHEMBL8967945 0.73 MAOA (0.49) MAOAPTPN1PTPN11HAO1MAOB
SCHEMBL5639514 0.71 JAK3 (0.60) MAOAIP6K1NTRK1
SCHEMBL6131245 0.71 MAOA (0.46) MAOAPTPN1PTPN11HAO1HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504095-A Aminobenzosultam derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-04-02 US disclosed
EP-0549666-B1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1994-11-23 EP disclosed
EP-0549666-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS. PFIZER (US) 1993-07-07 EP disclosed
WO-1992005164-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1992-04-02 WO disclosed