SCHEMBL4456654

SCHEMBL4456654

Cc1nc(=O)c2c(C(F)(F)F)cccc2o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
ELANE P08246 6/20 0.40
HRH4 Q9H3N8 3/20 0.38
XPO1 O14980 1/20 0.38
PTGES O14684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
C1R P00736 1/20 0.35
PSMB8 P28062 1/20 0.35
CDC14B O60729 1/20 0.35
CDC14A Q9UNH5 1/20 0.35

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
SCHEMBL26375286 0.80 ELANE (0.42) NOTUMELANEHRH4PTGESALDH1A1
SCHEMBL4468051 0.76 ELANE (0.64) ELANEXPO1C1R
SCHEMBL1096064 0.71 ELANE (0.66) NOTUMELANEALDH1A1PARP1KDM4E
SCHEMBL16213278 0.70 TDP1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL15842270 0.69 HSD17B3 (0.50) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3533214 0.68 KDM4E (0.57) ELANEALDH1A1PARP1KDM4EMEN1
SCHEMBL24820223 0.68 ELANE (0.43) NOTUMELANEALDH1A1KDM4EKMT2A
SCHEMBL28217076 0.68 HRH4 (0.35) NOTUMELANEHRH4PARP1MEN1
SCHEMBL20346652 0.68 TYMS (0.39) NOTUMHRH4ALDH1A1PARP1KDM4E
SCHEMBL20346729 0.67 ELANE (0.40) ELANEALDH1A1KDM4EMEN1KMT2A

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
US-20090131664-A1 Method for Producing 4(3H)-Quinazolinone Derivative MSD K.K. (JP) 2009-05-21 US disclosed
EP-1903040-A1 METHOD FOR PRODUCING 4(3H)-QUINAZOLINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-03-26 EP disclosed