SCHEMBL9823749

SCHEMBL9823749

CC#CNn1c(C)nc2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HTT P42858 2/20 0.51
CYP2D6 P10635 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
UBE2N P61088 1/20 0.49

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
SCHEMBL1520943 0.80 KDM4E (0.60) KDM4ESMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL12411206 0.76 GAA (0.55) KDM4ESMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL27639917 0.73 KDM4E (0.64) KDM4ELMNAKMT2ACYP1A2MEN1
SCHEMBL1101889 0.71 KDM4E (0.66) KDM4ELMNAKMT2ACYP1A2MEN1
SCHEMBL9823743 0.71 KDM4E (0.64) KDM4ESMN1; SMN2KMT2ACYP3A4MEN1
SCHEMBL29405525 0.70 ALDH1A1 (0.72) SMN1; SMN2LMNAKMT2ACYP1A2CYP3A4
SCHEMBL6747607 0.70 ALDH1A1 (0.77) SMN1; SMN2LMNAKMT2ACYP1A2CYP3A4
SCHEMBL30883267 0.69 KDM4E (1.00) KDM4ESMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL22021637 0.69 KDM4E (0.64) KDM4ESMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL1428216 0.69 KDM4E (1.00) KDM4ESMN1; SMN2LMNAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 EP disclosed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 WO disclosed