SCHEMBL18904288

SCHEMBL18904288

CCc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.63
DHODH Q02127 3/20 0.42
IDH2 P48735 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
MPL P40238 2/20 0.39
TDO2 P48775 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL12158257 0.90 CHRNA7 (0.78) CHRNA7DHODHIDH2CCNA2CDK2
SCHEMBL13159797 0.89 CHRNA7 (0.60) CHRNA7DHODHIDH2CCNA2CDK2
SCHEMBL13159796 0.87 CHRNA7 (0.55) CHRNA7DHODHIDH2CYP1A2CCNA2
SCHEMBL12158245 0.86 CHRNA7 (0.57) CHRNA7DHODHIDH2CYP1A1CYP1A2
SCHEMBL12157994 0.86 CHRNA7 (0.58) CHRNA7DHODHIDH2MPLMEN1
SCHEMBL12158251 0.85 CHRNA7 (0.55) CHRNA7DHODHIDH2CYP1A1CYP1A2
SCHEMBL14707154 0.84 DHODH (0.50) CHRNA7DHODHMEN1RAB9AKMT2A
SCHEMBL18904287 0.84 KIF11 (0.53) CHRNA7IDH2CYP1A1CYP1A2CYP1B1
SCHEMBL12158256 0.84 CHRNA7 (0.55) CHRNA7CYP1A1CYP1A2CYP1B1CCNA2
SCHEMBL13159765 0.82 CHRNA7 (0.52) CHRNA7DHODHIDH2CYP1A1CYP1A2

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-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed