SCHEMBL9045892

SCHEMBL9045892

C#CCc1c(-c2ccccc2)nc(C)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
KDM5A P29375 1/20 0.48
POLB P06746 2/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
XDH P47989 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
TYMS P04818 1/20 0.41
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 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
SCHEMBL9024405 0.76 SMN1; SMN2 (0.49) CYP1A2KDM4ESMN1; SMN2HPGDPARP1
SCHEMBL17837017 0.73 KDM4E (0.38) CYP1A2KDM4ESMN1; SMN2PARP1TNKS2
SCHEMBL9044604 0.72 KDM5A (0.50) CYP1A2KDM4ESMN1; SMN2HPGDKDM5A
SCHEMBL5388031 0.71 CYP1A2 (0.59) CYP1A2KDM4ESMN1; SMN2HPGDPARP1
SCHEMBL7601774 0.68 HPGD (0.68) CYP1A2KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL10436160 0.67 NPC1 (0.65) CYP1A2KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL9045010 0.67 KDM5A (0.47) CYP1A2KDM4EHPGDKDM5AALDH1A1
SCHEMBL11147953 0.67 ADORA1 (0.46) KDM4ESMN1; SMN2HPGDKDM5AALDH1A1
SCHEMBL1068923 0.67 KDM4E (1.00) CYP1A2KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL9044437 0.66 KDM5A (0.46) CYP1A2KDM4EHPGDKDM5AALDH1A1

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
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
EP-0579425-A1 6-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed