SCHEMBL24601361

SCHEMBL24601361

CCCCCC#Cc1ccc(-n2cc(C)ccc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
BLM P54132 1/20 0.48
MAPK14 Q16539 5/20 0.47
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
KCNH2 Q12809 4/20 0.39
APLNR P35414 2/20 0.37
TNK2 Q07912 1/20 0.37
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRKCA P17252 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL5886550 0.76 KCNH2 (0.59) KDM4EALDH1A1HPGDHSD17B10FFAR1
SCHEMBL24601359 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL19450251 0.76 MAPK14 (0.75) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL24601360 0.75 HPGD (0.56) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL28739809 0.73 KCNH2 (0.54) ALDH1A1FFAR1FFAR4MMP2MMP12
SCHEMBL5886652 0.73 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL3970272 0.73 ALDH1A1 (0.77) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5886588 0.69 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL8846653 0.67 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL3975362 0.67 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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-2022146980-A1 COMPOSITIONS AND METHODS FOR INHIBITING FIBROSIS, INFLAMMATION AND CANCER GEORGIA TECH RESEARCH CORPORATION (US) 2022-07-07 WO disclosed