SCHEMBL19983867

SCHEMBL19983867

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HTR2A P28223 3/20 0.42
CYP2D6 P10635 2/20 0.42
HTR2B P41595 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TNIK Q9UKE5 4/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TYR P14679 1/20 0.37
HTR1A P08908 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL19984005 0.88 HTR2A (0.44) KDM4EHTR2AALDH1A1NPSR1CHRNB2
SCHEMBL19984197 0.86 GPR84 (0.49) HTR2ACYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL19983891 0.86 GPR84 (0.49) HTR2CHTR2AHTR1ACHRNB2CHRNA7
SCHEMBL19983847 0.84 TBXAS1 (0.42) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL19984167 0.84 NR3C1 (0.42) MEN1KMT2ALMNACHRNB2CHRNA7
SCHEMBL19984215 0.84 GAA (0.47) KDM4EHTR2AHTR2BMEN1KMT2A
SCHEMBL19983944 0.82 GPR84 (0.40) KDM4EHTR2AALDH1A1HTR1ACHRNB2
SCHEMBL19983751 0.81 GPR84 (0.40) KDM4EHTR2AMEN1KMT2AALDH1A1
SCHEMBL19983900 0.80 CDK2 (0.42) HTR1AGAAHTR6
SCHEMBL19983771 0.80 CHRNB2 (0.38) HTR2CKDM4EHTR2AHTR2BALDH1A1

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