SCHEMBL9762433

SCHEMBL9762433

Cc1cc(C)nc(N(N=O)c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
ALOX15 P16050 1/20 0.55
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9043787 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HTTMAPT
SCHEMBL9045620 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1HTTMAPT
SCHEMBL80329 0.73 ALDH1A1 (1.00) ALDH1A1ALOX15KDM4EL3MBTL1HTT
SCHEMBL3916108 0.73 ALDH1A1 (1.00) ALDH1A1ALOX15KDM4EL3MBTL1HTT
SCHEMBL9694344 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1HTTMAPT
SCHEMBL9044331 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1HTTMAPT
SCHEMBL1111522 0.71 POLB (0.47) ALDH1A1KDM4EL3MBTL1HTTMAPT
SCHEMBL9763213 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1HTTMAPT
SCHEMBL11271014 0.71 ALDH1A1 (0.94) ALDH1A1ALOX15KDM4EL3MBTL1HTT
Hydrochloric Acid SCHEMBL10866136 0.71 ALDH1A1 (0.94) ALDH1A1ALOX15KDM4EL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270111-B1 PYRIMIDINE DERIVATIVES AND AGRICULTURAL OR HORTICULTURAL FUNGICIDAL COMPOSITION CONTANING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-05-15 EP disclosed
US-4992438-A Pyrimidine derivatives, process for preparing the same and agricultural or horticultural fungicidal composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-12 US disclosed
EP-0270111-A1 Pyrimidine derivatives and agricultural or horticultural fungicidal composition contaning the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-06-08 EP disclosed