SCHEMBL19984048

SCHEMBL19984048

CNCc1c[nH]c2cc(Nc3ccc(F)cc3C)ncc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.42
SLC6A4 P31645 1/20 0.41
MPO P05164 2/20 0.40
GPR84 Q9NQS5 2/20 0.40
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 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
SCHEMBL19984249 0.88 TDO2 (0.41) TDO2MPOGPR84ALKBH5FTO
SCHEMBL19983891 0.81 GPR84 (0.49) SLC6A4MPOGPR84ALKBH5FTO
SCHEMBL19983943 0.78 CYP3A4 (0.36) TDO2SLC6A4GPR84
SCHEMBL31415127 0.73 GPR84 (0.72) TDO2MPOGPR84ALKBH5FTO
SCHEMBL14036644 0.71 MPO (0.72) SLC6A4MPOGPR84HTR2AHTR2C
SCHEMBL19984003 0.70 GPR84 (0.50) MPOGPR84ALKBH5FTOHTR2A
SCHEMBL19984043 0.70
SCHEMBL16626781 0.69 HTR6 (0.41) SLC6A4PIK3CAPRKDCHTR2A
SCHEMBL19983953 0.69 GPR84 (0.43) TDO2SLC6A4MPOGPR84HTR2A
SCHEMBL19983731 0.69 GPR84 (0.37) TDO2SLC6A4GPR84HTR2A

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