SCHEMBL4960701

SCHEMBL4960701

CCCCc1nc2ccccc2c(=O)n1-c1c(C)cc(Br)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
USP2 O75604 1/20 0.49
CYP2D6 P10635 1/20 0.48

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
SCHEMBL4957056 0.87 LMNA (0.60) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4957379 0.86 ALDH1A1 (0.65) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4958937 0.82 LMNA (0.80) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4956887 0.81 LMNA (0.55) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4960778 0.80 LMNA (0.62) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4958839 0.80 ALDH1A1 (0.65) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4955885 0.79 ALDH1A1 (0.64) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4960300 0.79 ALDH1A1 (0.64) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4959650 0.76 ALDH1A1 (0.60) LMNAALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL4957089 0.76 LMNA (1.00) LMNAALDH1A1MAPK1CYP1A2CYP3A4

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
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed