SCHEMBL8430878

SCHEMBL8430878

N=C(N)Nc1cccc(OC(=O)[C@H](Cc2ccccc2)N(NC=O)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL8430807 0.93 CA12 (0.35) CA12CA1CA2CA9RAB9A
SCHEMBL8429288 0.90 CA2 (0.38) CA12CA1CA2CA9RAB9A
SCHEMBL8432878 0.88 ITGB3 (0.39) CA12CA1CA2CA9RAB9A
SCHEMBL8429051 0.86 SIRT2 (0.36) CA12CA1CA2CA9RAB9A
SCHEMBL8431173 0.86 CTSD (0.35) CA12CA1CA2CA9RAB9A
SCHEMBL8432438 0.83 RAB9A (0.37) CA12CA1CA2CA9RAB9A
SCHEMBL8431432 0.82 RAB9A (0.36) CA12CA1CA2CA9KMT2A
SCHEMBL8431230 0.82 RAB9A (0.40) CA12CA1CA2CA9KMT2A
SCHEMBL8431034 0.81 ALDH1A1 (0.41) RAB9ALMNAMAPTUSP2ALDH1A1
SCHEMBL8429155 0.80 ITGB3 (0.46)

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed