SCHEMBL29893137

SCHEMBL29893137

FC(F)(F)c1cc2cnc3ccccc3n2c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 1/20 0.40
CASP7 P55210 1/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 6/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GMNN O75496 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL2791725 0.72 ALDH1A1 (0.46) TDP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL4511748 0.70 ALDH1A1 (0.50) TDP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL29711837 0.70 ALDH1A1 (0.50) TDP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL30149937 0.69 MAPK8 (0.50) TDP1HSD17B10CASP1MAPK10CASP7
SCHEMBL3337856 0.66 KDM4E (0.46) TDP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL29284760 0.66 HSD17B10 (0.46) TDP1HSD17B10CASP1MAPK10CASP7
SCHEMBL2947750 0.65 KDM4E (0.46) TDP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL4931034 0.64 SMN1; SMN2 (0.47) TDP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9216927 0.63 ALDH1A1 (0.50) TDP1HSD17B10CASP1MAPK10CASP7
SCHEMBL31612341 0.63 HSD17B10 (0.42) TDP1HSD17B10CASP1MAPK10CASP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed