SCHEMBL19984249

SCHEMBL19984249

CNCc1c[nH]c2cc(Nc3ccc(F)cc3Cl)ncc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 6/20 0.41
MPO P05164 2/20 0.39
GPR84 Q9NQS5 3/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TTK P33981 2/20 0.38
AURKA O14965 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SSTR3 P32745 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL19984048 0.88 TDO2 (0.42) TDO2MPOGPR84ALKBH5FTO
SCHEMBL19983943 0.81 CYP3A4 (0.36) TDO2GPR84SLC6A2SLC6A3TTK
SCHEMBL19984030 0.81 GPR84 (0.48) MPOGPR84SLC6A2SLC6A3ALKBH5
SCHEMBL19983836 0.79 SLC6A2 (0.39) TDO2MPOGPR84SLC6A2SLC6A3
SCHEMBL31415127 0.73 GPR84 (0.72) TDO2MPOGPR84ALKBH5FTO
SCHEMBL19984039 0.71 GPR84 (0.50) MPOGPR84SLC6A2SLC6A3ALKBH5
SCHEMBL19984043 0.71
SCHEMBL19983731 0.70 GPR84 (0.37) TDO2GPR84CYP3A4CYP2D6CYP2C19
SCHEMBL14036644 0.70 MPO (0.72) MPOGPR84HTR2AHTR2C
Hydrochloric Acid SCHEMBL16618810 0.69 HTR6 (0.41) SLC6A2SLC6A3TTKCYP3A4CYP2D6

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