SCHEMBL31708271

SCHEMBL31708271

NC(=O)C=Cc1ccc2c(c1F)NC(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.36
SMYD3 Q9H7B4 2/20 0.33
PELI1 Q96FA3 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
TDP2 O95551 3/20 0.32
ABL1 P00519 1/20 0.31
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL30368212 0.74 SMN1; SMN2 (0.40) ABL1ALDH1A1
SCHEMBL25243086 0.74 SMN1; SMN2 (0.40) ABL1ALDH1A1
SCHEMBL26666458 0.70 AHR (0.47) AHRTDP2GRM5
SCHEMBL31708255 0.69 AHR (0.47) AHRSMYD3PELI1TDP2
SCHEMBL223361 0.67 AHR (0.58) AHRTDP2GRM5
SCHEMBL27353753 0.67 PTGS2 (0.54) PELI1CCNCCDK8ALDH1A1LMNA
SCHEMBL25248436 0.67 AHR (0.44) AHRTDP2
SCHEMBL18289475 0.67 AHR (0.59) AHRTDP2
SCHEMBL1723776 0.64 SRD5A1 (0.38) LMNA
SCHEMBL31708265 0.64 CCNC (0.38) PELI1CCNCCDK8PTPN1

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-4208442-B1 MPTP INHIBITORS NRG THERAPEUTICS LTD (GB) 2025-10-22 EP claimed