SCHEMBL19983923

SCHEMBL19983923

CNCc1c[nH]c2cc(-c3cccc(Cl)c3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.51
SOS1 Q07889 1/20 0.48
HTR6 P50406 1/20 0.46
ADRB3 P13945 4/20 0.43
SLC6A4 P31645 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ASH1L Q9NR48 1/20 0.40
ESR2 Q92731 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALOX5 P09917 1/20 0.40
PGR P06401 1/20 0.39
NR3C1 P04150 1/20 0.39
JAK2 O60674 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL19983837 0.78 HSD17B1 (0.53)
SCHEMBL19983776 0.77 CHRNB2 (0.42) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984170 0.75 HTR2A (0.44) GPR84ADRB3CHRNB2CHRNA7CHRNA4
SCHEMBL31415117 0.75 GPR84 (0.72) GPR84HTR6SLC6A4HTR2A
SCHEMBL19984287 0.74 MAPT (0.45) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL3281375 0.73 HTR2A (0.61) GPR84ADRB3CHRNB2CHRNA7CHRNA4
SCHEMBL19984216 0.73 GPR84 (0.48) GPR84HTR6SLC6A4CHRNB2CHRNA7
SCHEMBL19984200 0.73 ROCK2 (0.41) GPR84HTR6CHRNB2CHRNA7CHRNA4
SCHEMBL19983869 0.73 MMP2 (0.46) GPR84HTR6HTR2A
SCHEMBL15897700 0.72 CHRNB2 (0.72) GPR84ADRB3SLC6A4CHRNB2CHRNA7

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