SCHEMBL11218968

SCHEMBL11218968

C=CN(CCCC)C(Cc1ccccc1)CS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 6/20 0.36
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSH P09668 2/20 0.36
ESR1 P03372 1/20 0.34
CSNK1E P49674 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
CNR2 P34972 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL11231620 0.95 CNR2 (0.39) CTSKCTSLCTSBCTSHCSNK1E
SCHEMBL11237520 0.95 CNR2 (0.39) CTSKCTSLCTSBCTSHCSNK1E
SCHEMBL11228672 0.95 CNR2 (0.39) CTSKCTSLCTSBCTSHCSNK1E
SCHEMBL11235921 0.92 CA12 (0.37) CTSKCTSLCTSBCTSHESR1
SCHEMBL11223925 0.87 LMNA (0.34)
SCHEMBL11228640 0.85 CSNK1E (0.33) CTSKCTSLCTSBCTSHCSNK1E
SCHEMBL11218994 0.81 TDP1 (0.38) TDP1CTSKCTSLCTSBCTSH
SCHEMBL10490940 0.79 ALDH1A1 (0.38)
SCHEMBL11223593 0.77 CNR2 (0.40) CSNK1ECNR2
SCHEMBL11237273 0.77 CNR2 (0.40) CSNK1ECNR2

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-4309327-A COATINGS, PIGMENT PASTES NIPPON PAINT CO., LTD. (JP) 1982-01-05 US disclosed