SCHEMBL31254635

SCHEMBL31254635

COc1cc(C(F)(F)F)nn1-c1ccc(C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
CRACR2A Q9BSW2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
USP1 O94782 1/20 0.41
RORC P51449 1/20 0.40
PDE4B Q07343 2/20 0.40
PTGS2 P35354 1/20 0.40
PTGER1 P34995 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL31255079 0.82 PTGS2 (0.54) RORCPTGS2KDM4EALDH1A1
SCHEMBL31254731 0.79 USP1 (0.47) USP1PDE4BPTGS2
SCHEMBL6391746 0.79
SCHEMBL1668344 0.77 CRACR2A (0.68) CRACR2A
SCHEMBL25248159 0.77 USP1 (0.47) L3MBTL1USP1PDE4BPTGS2KDM4E
SCHEMBL31254979 0.77 KDM4E (0.43) L3MBTL1USP1PTGS2KDM4EALDH1A1
SCHEMBL30320380 0.77 USP1 (0.47) L3MBTL1USP1PDE4BPTGS2KDM4E
SCHEMBL25205472 0.76 CRACR2A (0.45) CRACR2AL3MBTL1KDM4E
SCHEMBL31359564 0.76 CRACR2A (0.45) CRACR2AL3MBTL1KDM4E
SCHEMBL25792188 0.74 PTGS2 (0.48) PDE4BPTGS2KDM4EALDH1A1

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-2024233665-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed