SCHEMBL15006531

SCHEMBL15006531

COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(NC(C)=O)ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.74
▸ ATM Q13315 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ CFTR P13569 1/20 0.71
▸ PAX8 Q06710 1/20 0.71
▸ GOPC Q9HD26 1/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38

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
SCHEMBL12285238 0.90 ABCB1 (0.76) ABCB1ATMUSP2CFTRPAX8
SCHEMBL10013900 0.90 ABCB1 (0.59) ABCB1ATMUSP2CFTRPAX8
SCHEMBL13881098 0.88 ABCB1 (0.74) ABCB1ATMUSP2CFTRPAX8
SCHEMBL12173205 0.87 ABCB1 (0.72) ABCB1ATMUSP2CFTRPAX8
SCHEMBL20216438 0.87 ABCB1 (0.71) ABCB1ATMUSP2CFTRPAX8
SCHEMBL20041379 0.87 ABCB1 (0.71) ABCB1ATMUSP2CFTRPAX8
SCHEMBL10167878 0.86 ABCB1 (0.79) ABCB1ATMUSP2CFTRPAX8
SCHEMBL16024743 0.86 ABCB1 (0.79) ABCB1ATMUSP2CFTRPAX8
SCHEMBL20216437 0.86 ABCB1 (0.70) ABCB1ATMUSP2CFTRPAX8
SCHEMBL268381 0.85 ABCB1 (1.00) ABCB1ATMUSP2CFTRPAX8

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-8461358-B2 Fluorescent probe for measuring protease THE UNIVERSITY OF TOKYO (JP) 2013-06-11 — — US disclosed
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