SCHEMBL7549672

SCHEMBL7549672

Nc1cccc(C=Cc2cccc(N)c2S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
ALDH1A1 P00352 4/20 0.38
TSHR P16473 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
DAPK1 P53355 1/20 0.38
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
SENP2 Q9HC62 3/20 0.35
SENP1 Q9P0U3 3/20 0.35
SUMO2 P61956 2/20 0.35
SUMO1 P63165 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP3 Q9H4L4 2/20 0.35
GAA P10253 2/20 0.34
NT5E P21589 1/20 0.34
ADORA2A P29274 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL38675 1.00 TTR (0.44) TTRALDH1A1TSHRHSD17B10TDP1
SCHEMBL11656743 0.98 TTR (0.43) TTRALDH1A1TSHRHSD17B10TDP1
SCHEMBL757243 0.94 TTR (0.41) TTRALDH1A1TSHRHSD17B10TDP1
SCHEMBL29413345 0.90 TRPA1 (0.44) TTRLMNANFE2L2MAPT
SCHEMBL6050457 0.90 TTR (0.49) TTRTDP1DAPK1AURKAAURKB
SCHEMBL722164 0.90 TRPA1 (0.44) TTRLMNANFE2L2MAPT
SCHEMBL29521321 0.90 TTR (0.49) TTRTDP1DAPK1AURKAAURKB
SCHEMBL6050449 0.90 TTR (0.49) TTRTDP1DAPK1AURKAAURKB
SCHEMBL8076468 0.88 TRPA1 (0.43) TTRLMNANFE2L2MAPT
SCHEMBL11537919 0.88 TTR (0.47) TTRALDH1A1TSHRHSD17B10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444091-B1 MIXING PULPS WITH POLYAMIDES OR IN COMBINATION WITH COAGULANTS, FLOCCULANTS AND/OR PARTICLES; EFFICIENCY NALCO CHEMICAL COMPANY 2002-09-03 US disclosed
WO-2002052102-A2 STRUCTURALLY RIGID NONIONIC AND ANIONIC POLYMERS AS RETENTION AND DRAINAGE AIDS IN PAPERMAKING ONDEO NALCO COMPANY (US) 2002-07-04 WO disclosed