SCHEMBL10415643

SCHEMBL10415643

COc1cc(C)nc(NC(N)=S)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
ADORA2A P29274 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9456287 0.90 CYP1A2 (0.59) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL9456322 0.84 RAB9A (0.58) MAPTKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL10616011 0.83 CYP1A2 (0.57) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL9621879 0.80 ADORA2A (0.46) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL10651293 0.80 ADORA2A (0.46) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL9129851 0.79 CYP1A2 (0.61) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL9739732 0.78 CYP1A2 (0.50) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL9368434 0.78 CYP1A2 (0.59) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL10503870 0.78 CYP1A2 (0.46) MAPTKMT2ACYP1A2ALDH1A1HTT
SCHEMBL10416731 0.77 MAPT (0.86) MAPTKMT2AALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623370-A1 NOVEL TRF1 MODULATORS AND ANALOGUES THEREOF Fundación del Sector Público Estatal Centro Nacional de Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2020-03-18 EP disclosed
US-4904299-A Herbicidal N-hydroxy-N'-sulfonylguanidines E. I. DU PONT DE NEMOURS AND CO. (US) 1990-02-27 US disclosed
EP-0117014-B1 HERBICIDAL N-HYDROXY-N'-SULFONYLGUANIDINES AND SULFONAMIDE INNER SALTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-06 EP disclosed
US-4750930-A Herbicidal N-hydroxy-N'-sulfonylguanidines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-14 US disclosed
US-4689070-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-08-25 US disclosed
EP-0117014-A1 Herbicidal N-hydroxy-N'-sulfonylguanidines and sulfonamide inner salts E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP disclosed