SCHEMBL19984037

SCHEMBL19984037

CNCc1c[nH]c2cc(Nc3ccc(C)cc3Cl)cnc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 1/20 0.34
DHODH Q02127 5/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SSTR3 P32745 1/20 0.32
ATM Q13315 1/20 0.32
GRM4 Q14833 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
LCK P06239 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19983970 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3GRM4
SCHEMBL19983836 0.89 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KDM4EGAA
SCHEMBL19983841 0.84 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1GRM4
SCHEMBL19983715 0.81 HTR2A (0.42) KDM4EALDH1A1HSD17B10PTGS2PTGS1
SCHEMBL19984030 0.70 GPR84 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL19983739 0.70 CHRNB2 (0.50) SLC6A4ALDH1A1GAAPTGS2
SCHEMBL19984306 0.69 LCK (0.35) SLC6A2SLC6A4SLC6A3DHODHKDM4E
SCHEMBL19984005 0.68 HTR2A (0.44) KDM4EALDH1A1HSD17B10ATMSMN1; SMN2
SCHEMBL19984249 0.68 TDO2 (0.41) SLC6A2SLC6A3KDM4ESSTR3
SCHEMBL19983988 0.68 POLB (0.38) HTTPOLB

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