SCHEMBL8968029

SCHEMBL8968029

NOS(=O)(=O)Cc1ccc(F)cc1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
KMT2A Q03164 2/20 0.40
CA4 P22748 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TXNRD1 Q16881 1/20 0.38
SOS1 Q07889 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 2/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL8968526 0.98 IDO1 (0.48) IDO1AGXTLOXL2CA1CA2
SCHEMBL28771805 0.78 TXNRD1 (0.44) IDO1AGXTLOXL2CA1CA2
SCHEMBL229507 0.77 KMT2A (0.61) IDO1AGXTLOXL2CA1CA2
SCHEMBL27549032 0.74 YAP1 (0.41) IDO1AGXTCA1CA2CA12
SCHEMBL642127 0.74 CA1 (0.60) IDO1AGXTLOXL2CA1CA2
SCHEMBL422010 0.73 USP2 (0.51) IDO1AGXTLOXL2CA1CA2
SCHEMBL14536544 0.73 TDP1 (0.41) CA1CA2CA12CA9KMT2A
SCHEMBL28588753 0.73 TXNRD1 (0.39) CA1CA2CA12CA9CA7
SCHEMBL17429334 0.73 CA12 (0.38) IDO1AGXTLOXL2CA1CA2
Hydrochloric Acid SCHEMBL5795445 0.72 CA1 (0.58) IDO1AGXTLOXL2CA1CA2

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