SCHEMBL24601360

SCHEMBL24601360

CCCCc1ccc(-n2cc(C)ccc2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
BLM P54132 1/20 0.56
MAPK14 Q16539 5/20 0.50
COMT P21964 1/20 0.49
APLNR P35414 2/20 0.45
MGLL Q99685 2/20 0.45
FAAH O00519 1/20 0.45
HSD11B1 P28845 1/20 0.41
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KAT2B Q92831 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL24601359 0.95 ALDH1A1 (0.54) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL18820385 0.90 KDM4E (0.59) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL10059356 0.83 KDM4E (0.62) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL356681 0.81 ALDH1A1 (0.80) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL22039469 0.79 MAPK14 (0.49) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL10059326 0.79 KDM4E (0.61) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL16541555 0.79 KDM4E (0.61) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL10059449 0.76 BLM (0.57) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL10059369 0.76 ALDH1A1 (0.57) HPGDALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL24601361 0.75 KDM4E (0.48) HPGDALDH1A1HSD17B10KDM4ECYP1A2

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