SCHEMBL19984002

SCHEMBL19984002

CNCc1c[nH]c2cc(Nc3cccc(Br)c3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
EGFR P00533 11/20 0.46
GOT1 P17174 1/20 0.43
EPHB2 P29323 1/20 0.40
MAPK14 Q16539 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
NTRK1 P04629 1/20 0.39
IDO1 P14902 1/20 0.38
ERBB2 P04626 1/20 0.38
STING1 Q86WV6 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL19984113 0.84 KIF11 (0.41) CHRNB2CHRNA7CHRNA4GPR84IDO1
SCHEMBL15897700 0.82 CHRNB2 (0.72) CHRNB2CHRNA7CHRNA4GPR84IDO1
SCHEMBL19984000 0.81 HTR2A (0.46) CHRNB2CHRNA7CHRNA4GPR84MEN1
SCHEMBL19983851 0.81 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4EGFRGPR84
SCHEMBL19983739 0.81 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4EGFRGPR84
SCHEMBL19984119 0.80 GPR84 (0.53) CHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19984146 0.80 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4GPR84IDO1
SCHEMBL19984216 0.79 GPR84 (0.48) CHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983831 0.78 HTR2A (0.49) GPR84MEN1KMT2A
SCHEMBL19984088 0.78 HTR1D (0.50) CHRNB2CHRNA7CHRNA4GPR84MEN1

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