SCHEMBL19984156

SCHEMBL19984156

CNCc1c[nH]c2cc(Nc3c(C)cc(Cl)cc3[N+](=O)[O-])ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GPR84 Q9NQS5 1/20 0.36
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
CDK2 P24941 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL19984110 0.87 GPR84 (0.44) MEN1KMT2AGPR84CFTRCHRNB2
SCHEMBL19983887 0.77 GPR84 (0.43) GPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984216 0.77 GPR84 (0.48) GPR84CFTRCHRNB2CHRNA7CHRNA4
SCHEMBL19984197 0.76 GPR84 (0.49) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983851 0.76 CHRNB2 (0.47) MEN1KMT2AGPR84CFTRCHRNB2
SCHEMBL19983983 0.76 GPR84 (0.44) GPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983741 0.74 AKR1C3 (0.51) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL19984193 0.74 GPR84 (0.37) GPR84CHRNB2CHRNA7CHRNA4P2RX3
SCHEMBL19983765 0.73 GPR84 (0.43) GPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984000 0.72 HTR2A (0.46) MEN1KMT2AGPR84CFTRMAPT

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