SCHEMBL9520837

SCHEMBL9520837

CC(C)Oc1cc(-n2cccn2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
GLA P06280 1/20 0.59
HTT P42858 2/20 0.47
GRM5 P41594 8/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC34A1 Q06495 1/20 0.35

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
SCHEMBL9521754 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL13966673 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL9521570 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL21348216 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL9522671 0.75 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL13942148 0.74 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL14970141 0.74 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL558521 0.70 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL558564 0.70 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AGLAHTT
SCHEMBL18809728 0.70 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AGLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 EP claimed
EP-0559742-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-15 EP claimed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 US claimed
EP-0257850-A2 Pyrimidine derivatives NISSIN SHOKUHIN KABUSHIKI KAISHA doing international business as NISSIN FOOD PRODUCTS CO., LTD. (JP) 1988-03-02 EP claimed
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 EP disclosed
EP-0559742-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-15 EP disclosed
EP-0525106-A4 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS 1993-04-21 EP disclosed
EP-0525106-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1993-02-03 EP disclosed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 US disclosed
EP-0257850-A2 Pyrimidine derivatives NISSIN SHOKUHIN KABUSHIKI KAISHA doing international business as NISSIN FOOD PRODUCTS CO., LTD. (JP) 1988-03-02 EP disclosed