SCHEMBL19984027

SCHEMBL19984027

CNCc1cn(Sc2cccc(OC)c2)c2cc(Nc3ccc(OC)cc3F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
CYP2D6 P10635 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
FGFR2 P21802 1/20 0.31
FBP1 P09467 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
DDR1 Q08345 1/20 0.31
DDR2 Q16832 1/20 0.31
GAK O14976 1/20 0.31

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
SCHEMBL19983777 0.94 ADRB2 (0.37) MAPK14FBP1GAK
SCHEMBL19983907 0.93 FPR1 (0.36) MAPK14CYP2D6MEN1KMT2AMAPT
SCHEMBL19984022 0.92 AKR1C3 (0.38) MAPK14MAPTPOLBFGFR2AKR1C3
SCHEMBL19983844 0.89 ALDH1A1 (0.35) MAPK14MEN1KMT2AMAPTPOLB
SCHEMBL19984025 0.89 MAPK14 (0.32) MAPK14MTNR1AMTNR1BMAPT
SCHEMBL19984024 0.87 MAPK14 (0.38) MAPK14CYP2D6MEN1KMT2AMAPT
SCHEMBL19983885 0.85 FBP1 (0.39) MAPK14FBP1GAK
SCHEMBL19984021 0.84 GAK (0.40) MAPK14CYP2D6MEN1KMT2APOLB
SCHEMBL19984271 0.84 HTR2A (0.34) MAPK14MEN1KMT2AMAPTPOLB
SCHEMBL19983901 0.84 TSHR (0.35) MEN1KMT2AMAPTPOLB

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed