SCHEMBL19983847

SCHEMBL19983847

CNCc1c[nH]c2cc(Nc3ccc(C(F)(F)F)cc3C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.42
CDK2 P24941 3/20 0.41
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KIF11 P52732 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 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
SCHEMBL19984128 0.90 TBXAS1 (0.42) TBXAS1CDK2HTR2ASLC6A4KCNH2
SCHEMBL19983945 0.89 TBXAS1 (0.41) TBXAS1CDK2HTR2ASLC6A4KCNH2
SCHEMBL19983845 0.87 TBXAS1 (0.44) TBXAS1CDK2HTR2ASLC6A4KCNH2
SCHEMBL19983891 0.86 GPR84 (0.49) HTR2ASLC6A4HTR1ACHRNB2CHRNA7
SCHEMBL19984005 0.86 HTR2A (0.44) HTR2AMAPTNPSR1CHRNB2CHRNA7
SCHEMBL19983900 0.85 CDK2 (0.42) CDK2HTR1AGOT1TRPV1TRPA1
SCHEMBL19983867 0.84 HTR2C (0.42) HTR2ASLC6A4MEN1KMT2ALMNA
SCHEMBL19984197 0.84 GPR84 (0.49) HTR2ASLC6A4KCNH2CHRNB2CHRNA7
SCHEMBL19983944 0.82 GPR84 (0.40) HTR2AHTTHTR1ACHRNB2CHRNA7
SCHEMBL19983854 0.82 APP (0.39) TBXAS1CDK2HTR2ASLC6A4KCNH2

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