SCHEMBL9763213

SCHEMBL9763213

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL9763207 0.89 LMNA (0.45) ALDH1A1L3MBTL1HTTMAPTUSP2
SCHEMBL10668838 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTMAPTUSP2
SCHEMBL9763444 0.73 SMN1; SMN2 (0.39) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL5516786 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL43388 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL1487730 0.72 TSPO (0.41) ALDH1A1HTTTSHRMEN1KMT2A
SCHEMBL9694344 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTMAPTUSP2
SCHEMBL9044331 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTMAPTUSP2
SCHEMBL9762433 0.71 ALDH1A1 (0.55) ALDH1A1L3MBTL1HTTMAPTUSP2
SCHEMBL1111522 0.71 POLB (0.47) ALDH1A1L3MBTL1HTTMAPTUSP2

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-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
US-4783459-A Anilinopyrimidine fungicides SCHERING AGROCHEMICALS LTD. (GB) 1988-11-08 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
EP-0243136-A2 Anilinopyrimidine fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1987-10-28 EP disclosed