SCHEMBL9044604

SCHEMBL9044604

C#CCc1c(-c2ccccc2)nc(C)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.50
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
ADORA2B P29275 2/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 6/20 0.39
CYP1A2 P05177 6/20 0.39
CASP1 P29466 5/20 0.39
CASP7 P55210 5/20 0.39
GLA P06280 4/20 0.39
TP53 P04637 3/20 0.39
CYP2C9 P11712 3/20 0.39
USP2 O75604 2/20 0.39
RAF1 P04049 2/20 0.38
MAP2K1 Q02750 2/20 0.38
TDP2 O95551 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL9045010 0.82 KDM5A (0.47) KDM5AALDH1A1KDM4EGAAHPGD
SCHEMBL9044437 0.81 KDM5A (0.46) KDM5AALDH1A1KDM4EGAAHPGD
SCHEMBL9044140 0.74 KDM5A (0.47) KDM5AALDH1A1KDM4EHPGDADORA2B
SCHEMBL9045892 0.72 CYP1A2 (0.58) KDM5AALDH1A1KDM4EHPGDCYP1A2
SCHEMBL9044587 0.72 KDM5A (0.46) KDM5AALDH1A1KDM4EHPGDADORA2B
SCHEMBL9045877 0.72 KDM5A (0.46) KDM5AALDH1A1KDM4EHPGDADORA2B
SCHEMBL8994041 0.69 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL12926029 0.69 NTRK1 (0.43) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL11516631 0.68 KDM4E (0.51) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL15716944 0.66 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHPGDADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579425-B1 6-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-09 EP claimed
US-5298481-A 6-arylpyrimidines and herbicidal use ROHM AND HAAS COMPANY (US) 1994-03-29 US claimed
CN-1081439-A 6-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-02-02 CN claimed
EP-0579425-A1 6-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP claimed
JP-6100544-A None JP disclosed
EP-0579425-B1 6-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-09 EP disclosed
US-5397767-A 6-arylpyrimidines and herbicidal use ROHM AND HAAS COMPANY (US) 1995-03-14 US disclosed
JP-H06100544-A 6-ARYLPYRIMIDINES AND HERBICIDAL COMPOSITION CONTAINING THE SAME ROHM & HAAS CO 1994-04-12 JP disclosed
US-5298481-A 6-arylpyrimidines and herbicidal use ROHM AND HAAS COMPANY (US) 1994-03-29 US disclosed
CN-1081439-A 6-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-02-02 CN disclosed
EP-0579425-A1 6-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed