SCHEMBL19983841

SCHEMBL19983841

CNCc1c[nH]c2cc(Nc3ccc(Cl)cc3C)cnc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.43
SLC6A2 P23975 10/20 0.43
SLC6A3 Q01959 6/20 0.41
KCNH2 Q12809 6/20 0.36
GRM4 Q14833 1/20 0.35
GPR84 Q9NQS5 2/20 0.35
DHFR P00374 1/20 0.34
HTR2A P28223 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL19983970 0.90 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3GRM4GPR84
SCHEMBL19984037 0.84 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3GRM4ALDH1A1
SCHEMBL19983836 0.82 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3KCNH2GPR84
SCHEMBL19984197 0.81 GPR84 (0.49) SLC6A4SLC6A2SLC6A3KCNH2GPR84
SCHEMBL19983861 0.70 GPR84 (0.41) SLC6A4KCNH2GRM4GPR84HTR2A
SCHEMBL19983891 0.69 GPR84 (0.49) SLC6A4GPR84HTR2A
SCHEMBL19984005 0.68 HTR2A (0.44) GPR84HTR2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL19983772 0.68 GPR84 (0.48) SLC6A4SLC6A2KCNH2GPR84HTR2A
SCHEMBL19983867 0.67 HTR2C (0.42) SLC6A4HTR2AALDH1A1
SCHEMBL19984048 0.67 TDO2 (0.42) SLC6A4GPR84HTR2AALDH1A1

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