SCHEMBL25149490

SCHEMBL25149490

Cc1cc(C)cc(-c2ccc(C(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
GAA P10253 4/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
UCHL1 P09936 2/20 0.39
TPMT P51580 1/20 0.38
MDM2 Q00987 1/20 0.38
FTO Q9C0B1 1/20 0.38
POLB P06746 1/20 0.37
MPL P40238 1/20 0.37
CSNK2A1 P68400 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
PKM P14618 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL6197350 0.86 KDM4E (0.69) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL25149281 0.85 KDM4E (0.72) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL31547667 0.81 KDM4E (0.61) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL25148578 0.81 KDM4E (0.61) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL25148579 0.80 KDM4E (0.65) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL25149305 0.80 KDM4E (0.65) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL4074628 0.79 KDM4E (1.00) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL25148763 0.78 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL11111623 0.78 KDM4E (0.72) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL25148757 0.76 KDM4E (0.51) KDM4EGAAALDH1A1SMN1; SMN2RXFP1

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-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed