SCHEMBL30656301

SCHEMBL30656301

CC(C)(O)CNC(=O)c1c(C(F)F)sc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.47
EGLN2 Q96KS0 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
S1PR3 Q99500 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL30656087 0.86 EDNRA (0.48) EDNRAEGLN2EGLN1PDK1PDK2
SCHEMBL30656275 0.86 EDNRA (0.52) EDNRACASP3SENP8SENP7SENP6
SCHEMBL30656310 0.85 KDM4E (0.46) EDNRAALDH1A1KDM4EMAPTLMNA
SCHEMBL30656349 0.84 ALOX5 (0.52) EDNRAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31351336 0.83 EDNRA (0.53) EDNRACASP3SENP8SENP7SENP6
SCHEMBL26661130 0.83 EDNRA (0.53) EDNRACASP3SENP8SENP7SENP6
SCHEMBL26661120 0.83 EDNRA (0.56) EDNRACASP3SENP8SENP7SENP6
SCHEMBL30655991 0.81 SLC6A5 (0.51) EDNRAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL30656210 0.80 EDNRA (0.42) EDNRAEGLN2EGLN1S1PR3ALDH1A1
SCHEMBL30656217 0.78 EDNRA (0.46) EDNRAALDH1A1KDM4EMAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP claimed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN claimed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO claimed
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP disclosed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed