SCHEMBL19983945

SCHEMBL19983945

CNCc1c[nH]c2cc(Nc3ccc(C(F)(F)F)cc3Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
CDK2 P24941 3/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
TRPA1 O75762 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FADS1 O60427 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL19983847 0.89 TBXAS1 (0.42) TBXAS1CDK2HTR2ASLC6A4KCNH2
SCHEMBL19984128 0.88 TBXAS1 (0.42) TBXAS1CDK2HTR2ASLC6A4KCNH2
SCHEMBL19984030 0.85 GPR84 (0.48) HTR2ASLC6A4KCNH2GPR84HTR1A
SCHEMBL19983845 0.85 TBXAS1 (0.44) TBXAS1CDK2HTR2ASLC6A4KCNH2
SCHEMBL19983859 0.84 CDK2 (0.41) CDK2HTR2ASLC6A4KCNH2TRPA1
SCHEMBL19983715 0.84 HTR2A (0.42) HTR2AKDM4EGPR84HTR1D
SCHEMBL19983739 0.83 CHRNB2 (0.50) CDK2HTR2ASLC6A4KCNH2GPR84
SCHEMBL19983905 0.83 GPR84 (0.45) HTR2ASLC6A4KCNH2GPR84
SCHEMBL19983800 0.82 GPR84 (0.36) TBXAS1CDK2SLC6A4KCNH2TRPA1
SCHEMBL19984001 0.82 MAPK8 (0.48) HTR2ASLC6A4KDM4EGPR84HTT

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