SCHEMBL19984005

SCHEMBL19984005

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
FTO Q9C0B1 1/20 0.42
NR3C1 P04150 2/20 0.41
PCSK9 Q8NBP7 1/20 0.40
NR3C2 P08235 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
PTGS2 P35354 3/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL19983867 0.88 HTR2C (0.42) HTR2AALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL19983715 0.88 HTR2A (0.42) HTR2AALDH1A1ALKBH5FTONR3C1
SCHEMBL19983754 0.88 HTR2A (0.45) HTR2AALDH1A1ALKBH5FTONR3C1
SCHEMBL19984197 0.88 GPR84 (0.49) HTR2ACHRNB2CHRNA7CHRNA4PTGS2
SCHEMBL19983891 0.88 GPR84 (0.49) HTR2AALKBH5FTONR3C1CHRNB2
SCHEMBL19984215 0.86 GAA (0.47) HTR2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL19984167 0.86 NR3C1 (0.42) NR3C1NR3C2CHRNB2CHRNA7CHRNA4
SCHEMBL19983847 0.86 TBXAS1 (0.42) HTR2AALDH1A1NR3C1NR3C2CHRNB2
SCHEMBL19984000 0.85 HTR2A (0.46) HTR2AALDH1A1ALKBH5FTONR3C1
SCHEMBL19983944 0.84 GPR84 (0.40) HTR2AALDH1A1ALKBH5FTONR3C1

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