SCHEMBL9812449

SCHEMBL9812449

CN(C)c1ccc(N(C(=O)Nc2ccc(S(=O)(=O)O)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
RXFP1 Q9HBX9 2/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
NOX1 Q9Y5S8 3/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ESR2 Q92731 2/20 0.44

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
SCHEMBL8748004 0.82 ALDH1A1 (0.59) RAB9ARXFP1CA1CA2MEN1
SCHEMBL18900607 0.80 ALDH1A1 (0.51) RAB9ARXFP1PPARGNR2E3NCOR2
SCHEMBL1134428 0.80 ALDH1A1 (0.55) RAB9ACA12CA1CA2CA9
SCHEMBL4001708 0.79 RAB9A (0.51) RAB9ARXFP1PPARGNR2E3NCOR2
SCHEMBL27333040 0.78 ALDH1A1 (0.53) RAB9ACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL28095718 0.78 ALDH1A1 (0.53) RAB9ACA12CA1CA2CA9
SCHEMBL28203165 0.75 ALDH1A1 (0.50) RAB9ACA12CA1CA2CA9
SCHEMBL10797273 0.74 CA12 (0.50) RAB9ACA12CA1CA2CA9
SCHEMBL9547555 0.73 TDP1 (0.55) RAB9ARXFP1PPARGNR2E3NCOR2
SCHEMBL10802222 0.73 TSHR (0.47) CA12CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041636-A Color producing reagent for determining hydrogen peroxide WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-20 US disclosed
EP-0251297-B1 UREA DERIVATIVES AND COLORIMETRIC DETERMINATION USING THE SAME AS CHROMOGEN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-17 EP disclosed
US-4879383-A INDICATORS FOR MEDICAL DIAGNOSIS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-07 US disclosed
EP-0251297-A2 Urea derivatives and colorimetric determination using the same as chromogen WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1988-01-07 EP disclosed