SCHEMBL9828641

SCHEMBL9828641

COc1ccc(-c2cnn(CC(=O)c3ccc(Cl)cc3Cl)c(=O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
PLA2G2A P14555 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PTPN1 P18031 1/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
KCNH2 Q12809 1/20 0.43
RXFP1 Q9HBX9 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 2/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL9828844 0.83 CHEK1 (0.50) MAPTRAB9AKDM4EKMT2APOLB
SCHEMBL9828154 0.81 LMNA (0.46) MAPTRAB9AKMT2APOLBRXFP1
SCHEMBL9828939 0.80 MGAM (0.47) MAPTRAB9AKMT2APOLBRXFP1
SCHEMBL9828617 0.79 ALDH1A1 (0.51) MAPTRAB9AKDM4EKMT2APOLB
SCHEMBL9829358 0.78 CHEK1 (0.44) MAPTRAB9AKMT2ARXFP1MEN1
SCHEMBL9829354 0.78 CHEK1 (0.43) MAPTRAB9AKMT2APOLBRXFP1
SCHEMBL9829126 0.74 CHEK1 (0.40) MAPTRAB9AKMT2APOLBRXFP1
SCHEMBL31172062 0.70 ALDH1A1 (0.71) MAPTRAB9AKMT2APOLBMEN1
SCHEMBL1849729 0.70 RAB9A (0.62) MAPTRAB9AKMT2AKCNH2RXFP1
SCHEMBL16411136 0.69 ALDH1A1 (0.59) MAPTKDM4EKMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233804-B1 MONOARYL-5-AS TRIAZINONES SUBSTITUTED IN POSITION 2, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE MEDICAMENT (FR) 1991-09-25 EP claimed