SCHEMBL19984044

SCHEMBL19984044

CNCc1c[nH]c2cc(Cc3ccc(C)nc3F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
CYP3A4 P08684 9/20 0.39
CYP1A2 P05177 2/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 1/20 0.36
ASH1L Q9NR48 1/20 0.35
MPO P05164 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL19983976 0.86 GPR84 (0.40) GPR84ADORA2AADORA1CYP3A4CYP1A2
SCHEMBL19984023 0.81 HTR2A (0.47) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19983801 0.81 GPR84 (0.41) GPR84CYP3A4CHRNB2CHRNA7CHRNA4
SCHEMBL19983913 0.79 GPR84 (0.38) GPR84ADORA2AADORA1CHRNB2CHRNA7
SCHEMBL19984036 0.78 LMNA (0.44) GPR84CYP3A4CYP1A2CHRNB2CHRNA7
SCHEMBL19984039 0.77 GPR84 (0.50) GPR84MPOHTR2A
SCHEMBL19983972 0.77 GPR84 (0.40) GPR84CYP3A4CHRNB2CHRNA7CHRNA4
SCHEMBL19984035 0.77 HTR2A (0.47) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19983829 0.76 HTR2A (0.44) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19983815 0.74 CYP2C9 (0.43) GPR84CYP3A4CHRNB2CHRNA7CHRNA4

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