SCHEMBL7315204

SCHEMBL7315204

CC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TACR1 P25103 1/20 0.51
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTR2A P28223 1/20 0.47
CTSL P07711 2/20 0.47
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL1715173 1.00 MEN1 (0.54) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL10793551 0.86 CTSL (0.57) MEN1KMT2ATACR1ALDH1A1CTSL
SCHEMBL1715348 0.86 CTSL (0.57) MEN1KMT2ATACR1ALDH1A1CTSL
SCHEMBL7327394 0.86 CTSL (0.57) MEN1KMT2ATACR1ALDH1A1CTSL
SCHEMBL27703700 0.86 TACR1 (0.61) RAB9ATACR1ALDH1A1
SCHEMBL883397 0.85 ITGA4 (0.55) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL495975 0.85 ITGA4 (0.55) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6988240 0.85 ITGA4 (0.55) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL27939979 0.85 MEN1 (0.50) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL7162407 0.85 MGLL (0.51) MEN1KMT2ANPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100579957-C Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-01-13 CN disclosed
CN-1642906-A Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-07-20 CN disclosed
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed