SCHEMBL8229772

SCHEMBL8229772

Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(C)c2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
HTT P42858 3/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
EGFR P00533 4/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRA P19793 1/20 0.36
EPHX2 P34913 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SORT1 Q99523 2/20 0.34
CRACR2A Q9BSW2 1/20 0.34

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
SCHEMBL649504 0.90 ALDH1A1 (0.41) TP53HTTGAAKMT2ANPC1
SCHEMBL8234476 0.88 HPGD (0.41) KMT2AEGFRKDM4ESMN1; SMN2LMNA
SCHEMBL8235951 0.88 SMN1; SMN2 (0.38) TP53GAAEGFRKDM4ESMN1; SMN2
SCHEMBL8236420 0.86 MAPT (0.46) KMT2AEGFRKDM4ENPC1RAB9A
SCHEMBL11940274 0.85 IL2 (0.41) TP53GAAKMT2AEGFRKDM4E
SCHEMBL8233863 0.85 EPHX2 (0.42) TP53EGFRKDM4ESMN1; SMN2NPC1
SCHEMBL8236756 0.84 NPC1 (0.46) TP53GAAKMT2AKDM4ESMN1; SMN2
SCHEMBL8233835 0.84 LOXL2 (0.39) TP53GAAKDM4ESMN1; SMN2LMNA
SCHEMBL8236393 0.84 IL2 (0.41) TP53GAAKDM4ESMN1; SMN2LMNA
SCHEMBL8233948 0.83 GRM5 (0.44) EGFRKDM4ENPC1RAB9AALDH1A1

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
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO disclosed