SCHEMBL19983828

SCHEMBL19983828

CNCc1c[nH]c2cc(Nc3ncccc3C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 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
SCHEMBL19984015 0.87 GRM4 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19983890 0.87 EGFR (0.43) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL19984142 0.87 BACE1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19983769 0.84 TRPV1 (0.44) GRM4
SCHEMBL19983892 0.84 PTGS2 (0.46) KDM4EALDH1A1GRM4CHRNB2CHRNA7
SCHEMBL19983904 0.81 GRM4 (0.45) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL19983863 0.81 GPR84 (0.38) KDM4EALDH1A1GRM4CHRNB2CHRNA7
SCHEMBL19984195 0.79 LRRK2 (0.41) KMT2AKDM4EALDH1A1MEN1GRM4
SCHEMBL19984000 0.77 HTR2A (0.46) MAPTKMT2AKDM4EALDH1A1ALOX12
SCHEMBL19984193 0.77 GPR84 (0.37) NPC1RAB9AGRM4CHRNB2CHRNA7

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