SCHEMBL19983894

SCHEMBL19983894

CNCc1c[nH]c2cc(Nc3ccc(Cl)nc3Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
P2RX3 P56373 1/20 0.33
WEE1 P30291 1/20 0.33
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A4 P31645 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
RAD52 P43351 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL19984194 0.91 GPR84 (0.39) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983877 0.87 GPR84 (0.36) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983800 0.87 GPR84 (0.36) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL16626544 0.87 GPR84 (0.36) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983764 0.86 APP (0.38) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983943 0.82 CYP3A4 (0.36) GPR84CHRNB2CHRNA7CHRNA4CYP2D6
SCHEMBL19983771 0.81 CHRNB2 (0.38) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983903 0.81 CYP2D6 (0.39) GPR84CHRNB2CHRNA7CHRNA4CYP2D6
SCHEMBL19983715 0.80 HTR2A (0.42) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984197 0.80 GPR84 (0.49) GPR84CHRNB2CHRNA7CHRNA4P2RX3

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