SCHEMBL19983915

SCHEMBL19983915

CNCc1cn(Sc2cncc(F)c2)c2cc(Nc3ccc(OC)cc3OC(F)(F)F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.35
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADRB2 P07550 1/20 0.31
DHODH Q02127 1/20 0.31
P2RX7 Q99572 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL19984203 0.83 ABL1 (0.35) MKNK2P2RX7
SCHEMBL16626487 0.82 HTR6 (0.39) MKNK2CNR1CNR2
Hydrochloric Acid SCHEMBL16619661 0.81 HTR6 (0.39) MKNK2CNR1CNR2
SCHEMBL19983916 0.80 KDM4E (0.30)
SCHEMBL19984009 0.79 ALPL (0.37) BACE2
SCHEMBL19984181 0.79 TRPV1 (0.30)
SCHEMBL19983777 0.79 ADRB2 (0.37) ADRB2P2RX7
SCHEMBL19983844 0.79 ALDH1A1 (0.35) CYP17A1CYP11B1CYP11B2
SCHEMBL19984007 0.78 MAT2A (0.34) CYP11B1CYP11B2DHODHP2RX7
SCHEMBL19983981 0.78 CNR2 (0.34) CNR1CNR2

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