SCHEMBL19983890

SCHEMBL19983890

CNCc1c[nH]c2cc(Nc3ncccc3Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.43
ERBB2 P04626 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
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) CHRNB2CHRNA7CHRNA4GABRPGABRD
SCHEMBL19984015 0.86 GRM4 (0.39) CHRNB2CHRNA7CHRNA4GABRPGABRD
SCHEMBL19984142 0.86 BACE1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19983769 0.84 TRPV1 (0.44) GRM4
SCHEMBL19983892 0.81 PTGS2 (0.46) CHRNB2CHRNA7CHRNA4GRM4GPR84
SCHEMBL19983863 0.80 GPR84 (0.38) CHRNB2CHRNA7CHRNA4GRM4GPR84
SCHEMBL19983904 0.80 GRM4 (0.45) EGFRGRM4POLBKMT2A
SCHEMBL19984195 0.78 LRRK2 (0.41) CHRNB2CHRNA7CHRNA4GRM4KMT2A
SCHEMBL19984002 0.77 CHRNB2 (0.51) EGFRERBB2CHRNB2CHRNA7CHRNA4
SCHEMBL19983728 0.76 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4GPR84

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