SCHEMBL19983970

SCHEMBL19983970

CNCc1c[nH]c2cc(Nc3ccc(Cl)cc3Cl)cnc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.38
SLC6A4 P31645 8/20 0.38
SLC6A3 Q01959 3/20 0.38
MAPK1 P28482 1/20 0.37
GRM4 Q14833 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
GOT1 P17174 1/20 0.35
SRC P12931 3/20 0.34
QPCT Q16769 1/20 0.33
RET P07949 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 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
SCHEMBL19983841 0.90 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3GRM4GPR84
SCHEMBL19983836 0.90 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MAPK1GPR84
SCHEMBL19984037 0.90 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3GRM4
SCHEMBL19984030 0.71 GPR84 (0.48) SLC6A2SLC6A4SLC6A3GPR84
SCHEMBL19983715 0.70 HTR2A (0.42) GPR84
SCHEMBL19984197 0.70 GPR84 (0.49) SLC6A2SLC6A4SLC6A3GPR84
SCHEMBL19983772 0.69 GPR84 (0.48) SLC6A2SLC6A4GPR84
SCHEMBL19983739 0.69 CHRNB2 (0.50) SLC6A4GPR84MAPT
SCHEMBL19984249 0.69 TDO2 (0.41) SLC6A2SLC6A3GPR84
SCHEMBL19983861 0.68 GPR84 (0.41) SLC6A4GRM4GPR84

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