SCHEMBL24423946

SCHEMBL24423946

N=C(F)c1cc(CNC=O)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CDC25B P30305 1/20 0.39
CASP6 P55212 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ASH1L Q9NR48 1/20 0.34
USP2 O75604 1/20 0.32
KEAP1 Q14145 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
SCHEMBL24629784 0.74 ALDH1A1 (0.45) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL6657229 0.73 KLK1 (0.42) ADH1BADH1CADH1AADH7ASH1L
SCHEMBL24424686 0.68 ALDH1A1 (0.37) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL8763196 0.68 ADH1B (0.76) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL2198992 0.67 PRSS1 (0.52) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL43651 0.67 ADH1B (0.61) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL3304771 0.66 ADH1B (0.50) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL9090253 0.66 ARG1 (0.53) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL24422918 0.66 KMT2A (0.50) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3320729 0.66 ADH1B (0.46) ADH1BADH1CADH1AADH7ASH1L

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
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed