SCHEMBL19984088

SCHEMBL19984088

CNCc1c[nH]c2cc(Nc3ccc(C(C)(C)C)cc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.50
HTR1B P28222 3/20 0.50
HTR1A P08908 2/20 0.50
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL19983845 0.88 TBXAS1 (0.44) HTR1DHTR1BHTR1ACHRNB2CHRNA7
SCHEMBL19984000 0.85 HTR2A (0.46) HTR1DHTR1ACHRNB2CHRNA7CHRNA4
SCHEMBL19984119 0.84 GPR84 (0.53) HTR1ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983831 0.82 HTR2A (0.49) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL19984216 0.80 GPR84 (0.48) HTR1DHTR1BHTR1ACHRNB2CHRNA7
SCHEMBL19983833 0.79 SCN9A (0.44) HTR1ACHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL19983847 0.78 TBXAS1 (0.42) HTR1DHTR1BHTR1ACHRNB2CHRNA7
SCHEMBL19984002 0.78 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4MEN1KMT2A
SCHEMBL19983734 0.78 GPR84 (0.46) HTR1ACHRNB2CHRNA7CHRNA4MAPT
SCHEMBL19984180 0.78 HTR2A (0.47) CHRNB2CHRNA7CHRNA4GPR84HTR2A

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