SCHEMBL29064971

SCHEMBL29064971

CCOC(=O)c1cc2c(Br)cccc2n1C(F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NOD2 Q9HC29 3/20 0.40
NOD1 Q9Y239 3/20 0.40
ELANE P08246 8/20 0.39
TSHR P16473 1/20 0.39
F10 P00742 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL29065081 0.86 ALDH1A1 (0.36) KDM4EELANEMEN1KMT2AALDH1A1
SCHEMBL29064939 0.81 PRNP (0.37) KDM4ERXFP1TSHRMEN1KMT2A
SCHEMBL29065057 0.80 AOC2 (0.34) KDM4EF10MEN1KMT2AALDH1A1
SCHEMBL22042092 0.80 KDM4E (0.50) KDM4ENPSR1RXFP1TSHRF10
SCHEMBL29065058 0.79 MEN1 (0.31) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17327071 0.79 KDM4E (0.44) KDM4ENPSR1RXFP1NOD2NOD1
SCHEMBL29065165 0.78 CDC7 (0.44) KDM4ENPSR1RXFP1ELANETSHR
SCHEMBL24036358 0.76 F10 (0.45) KDM4ENPSR1RXFP1NOD2NOD1
SCHEMBL29065006 0.76 MAPT (0.34) RXFP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29065117 0.76 MAPT (0.33) F10MEN1KMT2AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed