SCHEMBL5700550

SCHEMBL5700550

O=S(=O)([N]Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
KEAP1 Q14145 1/20 0.44
HTR6 P50406 1/20 0.42
PSIP1 O75475 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CA2 P00918 4/20 0.40
CA1 P00915 2/20 0.40
CA5A P35218 2/20 0.40
CA9 Q16790 2/20 0.40
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
PRSS3 P35030 1/20 0.40
GRIN2B Q13224 1/20 0.40
CA12 O43570 2/20 0.39

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
SCHEMBL8789475 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTPRSS1PRSS2
SCHEMBL5700055 0.87 CA12 (0.51) ALDH1A1KDM4ELMNAMAPTCA2
SCHEMBL7106631 0.79 GAA (0.49) KEAP1HTR6ALDH1A1KDM4ELMNA
SCHEMBL8788731 0.76 HTT (0.43) HTR6ALDH1A1KDM4ELMNAFAAH
SCHEMBL4429726 0.76 CA1 (0.47) NPC1ALDH1A1KDM4ELMNAMAPT
SCHEMBL3166485 0.76 CA2 (0.52) CA2CA1CA5ACA9FAAH
SCHEMBL423036 0.76 GRIN2B (0.45) NPC1PSIP1ALDH1A1CA2CA1
SCHEMBL5700129 0.76 PSIP1 (0.54) HTR6PSIP1ALDH1A1KDM4ELMNA
SCHEMBL2112941 0.74 NPSR1 (0.44) NPC1PSIP1ALDH1A1LMNACA2
SCHEMBL10424473 0.74 PRSS1 (0.55) NPC1ALDH1A1CA2CA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122089-A Aminothiofluoran compounds, process for the production thereof, and recording elements containing the same SANKIO CHEMICAL CO., LTD. (JP) 1978-10-24 US claimed
EP-1146037-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO (JP) 2006-06-21 EP disclosed
US-6410749-B1 REACTING A CARBONYL COMPOUND WITH ORGANOMETALLIC COMPOUND NIPPON SODA CO., LTD. (JP) 2002-06-25 US disclosed
EP-1146037-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO., LTD. (JP) 2001-10-17 EP disclosed
US-4122089-A Aminothiofluoran compounds, process for the production thereof, and recording elements containing the same SANKIO CHEMICAL CO., LTD. (JP) 1978-10-24 US disclosed