SCHEMBL19984128

SCHEMBL19984128

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.42
CDK2 P24941 3/20 0.40
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
MAPK1 P28482 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 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
KIF11 P52732 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2A P28223 4/20 0.35
SLC6A4 P31645 4/20 0.35

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 0.90 TBXAS1 (0.42) TBXAS1CDK2MEN1KMT2ALMNA
SCHEMBL19983989 0.89 GPR84 (0.46) HTR1ACHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983905 0.88 GPR84 (0.45) CHRNB2CHRNA7CHRNA4HTR2ASLC6A4
SCHEMBL19983945 0.88 TBXAS1 (0.41) TBXAS1CDK2MEN1KMT2ALMNA
SCHEMBL19984116 0.86 CDK2 (0.44) CDK2SLC6A4AR
SCHEMBL19983845 0.86 TBXAS1 (0.44) TBXAS1CDK2HTR1AHTR1DHTR1B
SCHEMBL19983758 0.84 GPR84 (0.37) TBXAS1CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983854 0.79 APP (0.39) TBXAS1CDK2HTR1ACHRNB2CHRNA7
SCHEMBL19984124 0.79 GPR84 (0.42) MEN1KMT2AHTTHTR1ACHRNB2
SCHEMBL19983800 0.78 GPR84 (0.36) TBXAS1CDK2HTR1AHTR1DHTR1B

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