SCHEMBL9537636

SCHEMBL9537636

O=S1(=O)Nc2ccc(NCc3ccccc3)cc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.47
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
IP6K1 Q92551 1/20 0.44
MAOA P21397 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NTRK1 P04629 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAOB P27338 1/20 0.42
AR P10275 1/20 0.41
DHFR P00374 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
Hydrochloric Acid SCHEMBL8967902 0.98 HAO1 (0.46) HAO1HTTPTPN1PTPN11IP6K1
SCHEMBL8968574 0.80 MAOA (0.44) HAO1HTTPTPN1PTPN11IP6K1
SCHEMBL8967825 0.77 HAO1 (0.46) HAO1HTTPTPN1PTPN11IP6K1
Hydrochloric Acid SCHEMBL8968011 0.76 HAO1 (0.45) HAO1HTTPTPN1PTPN11IP6K1
Hydrochloric Acid SCHEMBL8967921 0.76 HAO1 (0.42) HAO1HTTPTPN1PTPN11IP6K1
SCHEMBL8968516 0.76 ALDH1A1 (0.44) HAO1HTTPTPN1PTPN11IP6K1
SCHEMBL8967945 0.74 MAOA (0.49) HAO1HTTPTPN1PTPN11IP6K1
Hydrochloric Acid SCHEMBL8968395 0.74 MAOA (0.43) HAO1HTTPTPN1PTPN11IP6K1
SCHEMBL9383438 0.74 MAOA (0.46) HAO1HTTPTPN1PTPN11IP6K1
Hydrochloric Acid SCHEMBL8967940 0.73 HTT (0.43) HAO1HTTPTPN1PTPN11IP6K1

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
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