SCHEMBL11280979

SCHEMBL11280979

CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.67
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
CA9 Q16790 3/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA13 Q8N1Q1 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57

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
SCHEMBL10882778 0.83 VCAM1 (0.69) VCAM1ALDH1A1MEN1POLBKMT2A
SCHEMBL12067854 0.81 VCAM1 (0.69) VCAM1ALDH1A1MEN1POLBKMT2A
SCHEMBL913390 0.81 ALDH1A1 (0.68) VCAM1ALDH1A1MEN1POLBKMT2A
SCHEMBL11094292 0.81 FFAR4 (0.81) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL1564742 0.80 KMT2A (0.67) VCAM1ALDH1A1MEN1POLBKMT2A
SCHEMBL30932792 0.80 KMT2A (0.67) VCAM1ALDH1A1MEN1POLBKMT2A
SCHEMBL1805304 0.80 VCAM1 (0.67) VCAM1ALDH1A1MEN1KMT2ACA9
SCHEMBL686821 0.80 VCAM1 (1.00) VCAM1ALDH1A1CA9CA12CA1
SCHEMBL2284748 0.80 VCAM1 (0.67) VCAM1ALDH1A1POLBPKMCA9
SCHEMBL4862422 0.79 ALDH1A1 (0.54) VCAM1ALDH1A1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed