SCHEMBL9953514

SCHEMBL9953514

CC(C)c1ccccc1-n1c(Cl)nc2ccc(Br)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ATM Q13315 2/20 0.43
PDE7A Q13946 1/20 0.42
AVPR1A P37288 1/20 0.41
CASP3 P42574 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
MAPT P10636 1/20 0.38
PDE4D Q08499 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37

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
SCHEMBL9954662 0.86 PI4KA (0.47) MEN1KMT2AATMPDE7ACASP3
SCHEMBL9954421 0.79 MEN1 (0.51) MEN1KMT2AATMPDE7AAVPR1A
SCHEMBL9953451 0.75 MAPT (0.44) MEN1KMT2ALMNAMAPTTP53
SCHEMBL31540598 0.74 IDO1 (0.47) MEN1KMT2AIDO1TDO2IDO2
SCHEMBL26688703 0.72 MEN1 (0.51) MEN1KMT2AATMPDE7AAVPR1A
SCHEMBL30757281 0.72 MEN1 (0.51) MEN1KMT2AATMPDE7AAVPR1A
SCHEMBL9954105 0.72 HCAR1 (0.53) MEN1KMT2APDE7ATDO2IDO2
SCHEMBL9954915 0.71 PI4KA (0.47) TDO2IDO2LMNAHCAR1MAPT
SCHEMBL9954987 0.71 ALDH1A1 (0.64) MEN1KMT2APDE7AMAPTSMN1; SMN2
SCHEMBL734626 0.70 ALDH1A1 (0.48) MEN1KMT2AATMLMNAPDE4D

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed