SCHEMBL8967945

SCHEMBL8967945

O=C1CS(=O)(=O)Nc2ccc(NCc3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
NTRK1 P04629 1/20 0.45
IP6K1 Q92551 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAOB P27338 2/20 0.39
AR P10275 1/20 0.39
BRD4 O60885 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
HTT P42858 1/20 0.38
HDAC1 Q13547 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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 0.83 HAO1 (0.46) MAOANTRK1IP6K1HAO1ALDH1A1
Hydrochloric Acid SCHEMBL8968011 0.82 HAO1 (0.45) MAOANTRK1IP6K1HAO1ALDH1A1
SCHEMBL8968516 0.76 ALDH1A1 (0.44) MAOANTRK1IP6K1HAO1ALDH1A1
SCHEMBL9384321 0.75 MAOA (0.50) MAOANTRK1IP6K1DDB1CRBN
Hydrochloric Acid SCHEMBL8968395 0.74 MAOA (0.43) MAOANTRK1IP6K1DDB1CRBN
SCHEMBL9383438 0.74 MAOA (0.46) MAOANTRK1IP6K1HAO1ALDH1A1
SCHEMBL9537636 0.74 HAO1 (0.47) MAOANTRK1IP6K1HAO1ALDH1A1
Hydrochloric Acid SCHEMBL8967940 0.73 HTT (0.43) MAOANTRK1IP6K1DDB1CRBN
SCHEMBL8968574 0.73 MAOA (0.44) MAOANTRK1IP6K1HAO1ALDH1A1
Hydrochloric Acid SCHEMBL8967902 0.72 HAO1 (0.46) MAOANTRK1IP6K1HAO1ALDH1A1

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