SCHEMBL19983715

SCHEMBL19983715

CNCc1c[nH]c2cc(Nc3ccc(C)cc3Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
FTO Q9C0B1 2/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
GPR84 Q9NQS5 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
PTGS2 P35354 3/20 0.36
ADRB3 P13945 1/20 0.36
NR3C1 P04150 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 2/20 0.34
HTR1D P28221 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
BCL6 P41182 1/20 0.34

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
SCHEMBL19983739 0.89 CHRNB2 (0.50) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984005 0.88 HTR2A (0.44) HTR2AFTOALKBH5GPR84CHRNB2
SCHEMBL19984030 0.87 GPR84 (0.48) HTR2AFTOALKBH5GPR84CHRNB2
SCHEMBL19983754 0.86 HTR2A (0.45) HTR2AFTOALKBH5GPR84CHRNB2
SCHEMBL19984001 0.85 MAPK8 (0.48) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983945 0.84 TBXAS1 (0.41) HTR2AGPR84KDM4EHTR1D
SCHEMBL19984000 0.83 HTR2A (0.46) HTR2AFTOALKBH5GPR84CHRNB2
SCHEMBL19984197 0.83 GPR84 (0.49) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983988 0.83 POLB (0.38) HTR2AMAPK8MAPK10MAPK14BCL6
SCHEMBL19984194 0.82 GPR84 (0.39) HTR2AFTOALKBH5GPR84CHRNB2

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