SCHEMBL29465859

SCHEMBL29465859

COc1cc(F)c(F)c(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.54
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL23748216 1.00 SLC37A4 (0.54) SLC37A4MEN1KMT2AALDH1A1TP53
SCHEMBL23748199 0.87 MAPT (0.46) SLC37A4MEN1KMT2AALDH1A1TP53
SCHEMBL13149144 0.72 SLC37A4 (0.47) SLC37A4MEN1KMT2AALDH1A1TP53
SCHEMBL18801309 0.71 CA12 (0.57) SLC37A4KMT2AALDH1A1TP53CA12
SCHEMBL21627106 0.71 L3MBTL1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL20924693 0.71 FFAR1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9282939 0.70 LMNA (0.46) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL15151899 0.69 SLC37A4 (0.37) SLC37A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7754193 0.69 SLC37A4 (0.39) SLC37A4MEN1KMT2AALDH1A1TP53
SCHEMBL7754195 0.69 SLC37A4 (0.39) SLC37A4MEN1KMT2AALDH1A1TP53

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
CN-114057769-A Macrocyclic pyridazine compound and application thereof 上海拓界生物医药科技有限公司 2022-02-18 CN disclosed