SCHEMBL9522293

SCHEMBL9522293

COc1cc(C)nc(-n2cccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
ADORA2A P29274 7/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 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
SCHEMBL961121 0.84 ADORA2A (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL9520962 0.83 SMN1; SMN2 (0.42) MAPTKDM4ESMN1; SMN2HCRTR1HCRTR2
SCHEMBL10575533 0.80 HCRTR1 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL24920801 0.75 HCRTR1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL9521939 0.74 KMT2A (0.49) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL28870957 0.72 HTT (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL9520926 0.71 KMT2A (0.49) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL11217406 0.70 CYP1A2 (0.51) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL8363953 0.69 ADORA2A (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL24921473 0.69 KDM4E (0.37) MEN1KMT2ACYP1A2ALDH1A1MAPT

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-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 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
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