SCHEMBL27392157

SCHEMBL27392157

CCSc1ccc(Oc2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(-c2ccc(=O)n(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.44
▸ BRD4 O60885 3/20 0.43
▸ GPR119 Q8TDV5 10/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL27392163 0.87 BRD4 (0.52) CHEK2BRD4GPR119CSF1RHDAC1
SCHEMBL27392241 0.72 BRD4 (0.48) BRD4TDP1
SCHEMBL1376617 0.71 GPR119 (0.59) CHEK2GPR119HDAC1HPGDKDM4E
SCHEMBL18842715 0.71 GPR119 (0.57) CHEK2GPR119HDAC1KMT2A
SCHEMBL15539074 0.71 GPR119 (0.57) CHEK2GPR119HDAC1
SCHEMBL27393961 0.70 CSF1R (0.51) CHEK2GPR119CSF1RHDAC1KDM4E
SCHEMBL27392162 0.70 GPR119 (0.53) CHEK2BRD4GPR119CSF1RHDAC1
SCHEMBL15412759 0.69 GPR119 (0.58) CHEK2GPR119HDAC1KDM4EALDH1A1
SCHEMBL12834985 0.69 GPR119 (0.58) CHEK2GPR119CSF1RHDAC1KDM4E
SCHEMBL30812315 0.69 BRD4 (0.58) BRD4

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-2024054955-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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