SCHEMBL19983771

SCHEMBL19983771

CNCc1c[nH]c2cc(Nc3ccc(C)nc3C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
ADORA2A P29274 4/20 0.36
ADORA1 P30542 3/20 0.36
PTGS2 P35354 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
HTR2A P28223 3/20 0.35
PCSK9 Q8NBP7 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
P2RX3 P56373 1/20 0.34
CFTR P13569 1/20 0.33
HTR1A P08908 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
WEE1 P30291 1/20 0.32
APP P05067 1/20 0.32
HTR1D P28221 2/20 0.32

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
SCHEMBL19983913 0.90 GPR84 (0.38) CHRNB2CHRNA7CHRNA4ADORA2AADORA1
SCHEMBL19984194 0.88 GPR84 (0.39) CHRNB2CHRNA7CHRNA4PTGS2GPR84
SCHEMBL19983880 0.88 MEN1 (0.36) CHRNB2CHRNA7CHRNA4ADORA2AADORA1
SCHEMBL19984013 0.86 HTR2A (0.35) CHRNB2CHRNA7CHRNA4ADORA2AHTR2A
SCHEMBL19983854 0.85 APP (0.39) CHRNB2CHRNA7CHRNA4ADORA1GPR84
SCHEMBL19983892 0.83 PTGS2 (0.46) CHRNB2CHRNA7CHRNA4PTGS2GPR84
SCHEMBL19984005 0.81 HTR2A (0.44) CHRNB2CHRNA7CHRNA4PTGS2GPR84
SCHEMBL19983894 0.81 GPR84 (0.39) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983861 0.80 GPR84 (0.41) CHRNB2CHRNA7CHRNA4PTGS2GPR84
SCHEMBL19984197 0.80 GPR84 (0.49) CHRNB2CHRNA7CHRNA4PTGS2GPR84

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