SCHEMBL4383250

SCHEMBL4383250

COc1nc(CN)nc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ATM Q13315 2/20 0.31
TSHR P16473 2/20 0.31
KEAP1 Q14145 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL33145 0.76 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL11936455 0.76 CYP1A2 (0.38) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL14554109 0.74 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9051621 0.74 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL10920679 0.72 CYP1A2 (0.44) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3784384 0.70 NOS3 (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL4918384 0.70 LOXL2 (0.44) ALDH1A1CYP1A2LMNAL3MBTL1
SCHEMBL13623239 0.69
SCHEMBL1576395 0.69 TSHR (0.44) ALDH1A1CA1CA2CA9MEN1
SCHEMBL31084638 0.69 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRL3MBTL1

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-2028212-A1 Cynate-based structure plastic filled with carbon dioxide and method for its production Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2009-02-25 EP disclosed
EP-0094260-B1 HERBICIDAL HETEROCYCLIC ALKYLAMINOCARBONYLSULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-22 EP disclosed
US-4565567-A Herbicidal heterocyclic alkylaminocarbonylsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-21 US disclosed
US-4496392-A Herbicidal heterocyclic alkylaminocarbonylsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-29 US disclosed
EP-0094260-A2 Herbicidal heterocyclic alkylaminocarbonylsulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-11-16 EP disclosed