SCHEMBL24424686

SCHEMBL24424686

CN(Cc1ccc(N)c(C(=N)F)c1)N=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CDC25B P30305 1/20 0.37
CASP6 P55212 1/20 0.37
RCE1 Q9Y256 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 0.75 ALDH1A1 (0.45) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL24423946 0.68 ADH1B (0.40) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL15597736 0.66 PYCR1 (0.47) ALDH1A1
SCHEMBL24422918 0.64 KMT2A (0.50) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL8292594 0.63 ALDH1A1 (0.71) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL15744180 0.62 KDM4E (0.57) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL20204052 0.62 KEAP1 (0.34) KDM4EMAPT
SCHEMBL29049154 0.62 ALDH1A1 (0.50) ALDH1A1KDM4ETSHR
SCHEMBL20825948 0.62 PYCR1 (0.51) ALDH1A1KDM4EGAA
SCHEMBL297623 0.62 ALDH1A1 (0.58) ALDH1A1CDC25BCASP6RCE1KDM4E

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