SCHEMBL10763514

SCHEMBL10763514

c1ccc(CSc2ccccc2-c2cnco2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ADRA1A P35348 2/20 0.39
IMPDH2 P12268 3/20 0.39
AAK1 Q2M2I8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK2 Q15119 1/20 0.37
HTT P42858 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
EGFR P00533 3/20 0.37

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
SCHEMBL16157109 0.72 NPC1 (0.67) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6777717 0.71 POLB (0.59) POLBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL23539603 0.70 BRD4 (0.55) IMPDH2AAK1MAPK1TDP1MAPT
SCHEMBL9955245 0.70 PDK2 (0.48) ADRA1AIMPDH2AAK1PDK2ADRA1D
SCHEMBL28015046 0.70 ATR (0.49) POLBNPC1RAB9AALDH1A1ADRA1A
SCHEMBL38656167 0.70 PDK2 (0.48) ADRA1AIMPDH2AAK1PDK2ADRA1D
SCHEMBL4355515 0.69 POLB (0.44) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27976182 0.68 AKR1B1 (0.44) NPC1RAB9AALDH1A1ADRA1AIMPDH2
SCHEMBL26259988 0.67 MEN1 (0.48) ADRA1AIMPDH2PDK2ADRA1DADRA1B
SCHEMBL26259975 0.67 CYP11B1 (0.48) ADRA1AIMPDH2PDK2ADRA1DADRA1B

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
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4602940-A HERBICIDES, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-29 US disclosed
US-4534790-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-13 US disclosed
US-4465505-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-14 US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed