SCHEMBL29960281

SCHEMBL29960281

Cn1nc(I)c2cc(C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 9/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43
TEAD1 P28347 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
TEAD3 Q99594 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TBXAS1 P24557 1/20 0.40
RORC P51449 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL121802 0.87 SLC2A1 (0.41) HCAR3KDM4EHPGDALDH1A1CPT2
SCHEMBL14737303 0.83 MAPT (0.50) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL31173872 0.83 MAPT (0.50) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL23535727 0.82 HCAR3 (0.55) HCAR3KDM4EHPGDALDH1A1CPT2
SCHEMBL30040739 0.82 HCAR3 (0.55) HCAR3KDM4EHPGDALDH1A1CPT2
SCHEMBL14869360 0.81 HCAR3 (0.50) HCAR3KDM4EHPGDALDH1A1CPT2
SCHEMBL25113848 0.81 HCAR3 (0.50) HCAR3KDM4EHPGDALDH1A1CPT2
SCHEMBL23559718 0.81 HCAR3 (0.50) HCAR3KDM4EHPGDALDH1A1CPT2
SCHEMBL30189248 0.81 HCAR3 (0.50) HCAR3KDM4EHPGDALDH1A1CPT2
SCHEMBL29301488 0.81 HCAR3 (0.50) HCAR3KDM4EHPGDALDH1A1CPT2

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-2022159454-A1 BET SUBFAMILY INHIBITORS AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2022-07-28 WO disclosed