SCHEMBL7042471

SCHEMBL7042471

CCCN(CCC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 3/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
CA12 O43570 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL7038862 0.92 MEN1 (0.53) SIGMAR1MEN1KMT2ARAB9AALDH1A1
SCHEMBL7042308 0.92 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1CA1
SCHEMBL1674065 0.90 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ARAB9AALDH1A1
SCHEMBL7040461 0.86 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1CA1
SCHEMBL3685056 0.85 MEN1 (0.62) MEN1KMT2ARAB9AALDH1A1CA1
SCHEMBL7035347 0.84 TSHR (0.65) MEN1KMT2ARAB9AALDH1A1CA1
SCHEMBL4091384 0.82 ALDH1A1 (0.64) MEN1KMT2ARAB9AALDH1A1CA1
SCHEMBL7042796 0.82 USP2 (0.65) SIGMAR1MEN1KMT2ARAB9AALDH1A1
SCHEMBL10683290 0.81 ALDH1A1 (0.65) MEN1KMT2ARAB9AALDH1A1CA1
SCHEMBL3326549 0.81 SIGMAR1 (0.59) SIGMAR1MEN1KMT2AALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 EP disclosed