SCHEMBL19984142

SCHEMBL19984142

CNCc1c[nH]c2cc(Nc3ncccc3Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
GRM4 Q14833 12/20 0.38
GPR84 Q9NQS5 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
WEE1 P30291 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37

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
SCHEMBL19983828 0.87 LMNA (0.38) GRM4GPR84GABRPGABRDGABRA1
SCHEMBL19983890 0.86 EGFR (0.43) GRM4GPR84GABRPGABRDGABRA1
SCHEMBL19984015 0.86 GRM4 (0.39) GRM4GPR84GABRPGABRDGABRA1
SCHEMBL19983769 0.84 TRPV1 (0.44) GRM4
SCHEMBL19984001 0.81 MAPK8 (0.48) GPR84WEE1
SCHEMBL19983892 0.81 PTGS2 (0.46) GRM4GPR84
SCHEMBL19983863 0.80 GPR84 (0.38) GRM4GPR84
SCHEMBL19983904 0.80 GRM4 (0.45) GRM4
SCHEMBL19984195 0.78 LRRK2 (0.41) GRM4
SCHEMBL19984234 0.77 BCL6 (0.38) GPR84WEE1P2RX3

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