SCHEMBL13699489

SCHEMBL13699489

CS(=O)(=O)c1ccc2nn(-c3cc(CCO)cc(/C=C\C(=O)c4ccccc4)c3O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAOB P27338 2/20 0.36
PTGS2 P35354 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
DBH P09172 1/20 0.33

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
SCHEMBL13700511 0.90 TYR (0.43) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700519 0.87 NPC1 (0.39) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700517 0.87 TYR (0.40) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13699459 0.86 GRM5 (0.40) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13699493 0.86 TYR (0.40) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13699505 0.85 MAOB (0.43) TYRNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL13700533 0.85 TYR (0.38) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700528 0.85 CYP4F2 (0.42) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700526 0.84 RAB9A (0.40) TYRNPC1RAB9ANFKB1NFKB2
SCHEMBL13700516 0.84 CYP1A1 (0.40) TYRNPC1RAB9ANFKB1NFKB2

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
EP-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed