SCHEMBL4893213

SCHEMBL4893213

CCCc1c(CSc2ccccc2)cc(S(N)(=O)=O)c(N)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.34
CA2 P00918 10/20 0.33
CA1 P00915 9/20 0.33
CA7 P43166 7/20 0.33
CA13 Q8N1Q1 7/20 0.33
CA12 O43570 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPY1R P25929 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CA9 Q16790 5/20 0.32
CA4 P22748 5/20 0.32
CA5A P35218 4/20 0.32
CA5B Q9Y2D0 4/20 0.32
CA6 P23280 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA3 P07451 2/20 0.32
LMNA P02545 2/20 0.32
S1PR4 O95977 1/20 0.32

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
SCHEMBL4207320 0.70 CA2 (0.39) CA2CA1CA7CA13CA12
Ammonia Solution, Strong SCHEMBL28243882 0.64 TDP1 (0.39) CA2CA1CA7CA13CA12
SCHEMBL28791202 0.64 CA2 (0.43) BCL2L1CA2CA1CA7CA12
SCHEMBL25434446 0.63 CA2 (0.44) BCL2L1CA2CA1CA7CA12
SCHEMBL6468837 0.62 CA2 (0.38) BCL2L1CA2CA1CA7CA13
SCHEMBL17394632 0.62 CA2 (0.38) CA2CA1CA7CA13CA12
SCHEMBL10663419 0.62 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6275260 0.62 CA2 (0.47) CA2CA1CA7CA13CA12
SCHEMBL28204304 0.62 TDP1 (0.41) CA2CA1CA7CA13CA12
SCHEMBL27775996 0.61 NPY1R (0.43) CA2CA1CA7CA13CA12

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
WO-2008110691-A1 NOVEL TRICYCLIC DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2008-09-18 WO disclosed