SCHEMBL7228451

SCHEMBL7228451

Cc1ccc(Sc2ccnc(N)c2[N+](=O)[O-])cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 7/20 0.46
MAPT P10636 6/20 0.42
HTT P42858 5/20 0.42
MITF O75030 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.37
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7228254 0.84 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL9909776 0.79 LMNA (0.61) ALDH1A1LMNAMAPTHTTMITF
SCHEMBL2931600 0.76 LMNA (0.43) ALDH1A1LMNAMAPTHTTMITF
SCHEMBL2931604 0.76 LMNA (0.43) ALDH1A1LMNAMAPTHTTMITF
SCHEMBL29674727 0.73 NOS2 (0.50) ALDH1A1LMNAMAPTHTTMITF
SCHEMBL204345 0.73 NOS2 (0.50) ALDH1A1LMNAMAPTHTTMITF
SCHEMBL7222709 0.71 ALDH1A1 (0.39) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL2935810 0.70 PRMT1 (0.49) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL7228448 0.68 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHTTMITF
SCHEMBL11472633 0.67 ALDH1A1 (0.63) ALDH1A1LMNAMAPTHTTKDM4E

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
US-6583138-B1 Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa EISAI CO., LTD. (JP) 2003-06-24 US disclosed
EP-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed