SCHEMBL18542002

SCHEMBL18542002

CCc1nnc(Cc2cc(F)ccc2F)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
MPO P05164 1/20 0.36
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRM4 P08173 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33

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
SCHEMBL19157898 0.87 IDO1 (0.42) MEN1KMT2AGRIN1GRIN2BMPO
SCHEMBL18542001 0.84 RAB9A (0.43) MEN1KMT2AGRIN1GRIN2BMPO
SCHEMBL20724171 0.81 DPP4 (0.33) MEN1KMT2AGRIN1GRIN2BALDH1A1
SCHEMBL18541999 0.80 GLA (0.38) MEN1KMT2AGRIN1GRIN2BMPO
SCHEMBL19225348 0.79 ALDH1A1 (0.36) MEN1KMT2AGRIN1GRIN2BRIPK1
SCHEMBL20724194 0.76 ALDH1A1 (0.40) MEN1KMT2AGRIN1GRIN2BALDH1A1
SCHEMBL12188089 0.76 ALDH1A1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL18542004 0.75 TSHR (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL24846085 0.73 TSHR (0.57) MEN1KMT2AHSD17B10ALDH1A1NPC1
SCHEMBL20340996 0.73 MEP1B (0.39) MEN1KMT2AHSD17B10GRIN1GRIN2B

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-2017029498-A1 2-SULFONYLPYRIMIDINES MEDICAL RESEARCH COUNCIL (GB) 2017-02-23 WO disclosed