SCHEMBL25810716

SCHEMBL25810716

O=C(O)c1cc2ccc(NCCO)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.57
BCL2L1 Q07817 1/20 0.49
TBXAS1 P24557 1/20 0.45
GPR35 Q9HC97 1/20 0.45

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
SCHEMBL25810345 0.87 HDAC1 (0.63) HDAC1BCL2L1
SCHEMBL25810715 0.81 HDAC1 (0.48) HDAC1
SCHEMBL16396231 0.73 HDAC1 (0.55) HDAC1BCL2L1TBXAS1GPR35
SCHEMBL191611 0.73 TBXAS1 (0.57) HDAC1BCL2L1TBXAS1GPR35
SCHEMBL31207829 0.73 TBXAS1 (0.57) HDAC1BCL2L1TBXAS1GPR35
SCHEMBL153935 0.73 BCL2L1 (0.59) HDAC1BCL2L1TBXAS1GPR35
SCHEMBL31435451 0.73 BCL2L1 (0.59) HDAC1BCL2L1TBXAS1GPR35
SCHEMBL15697571 0.71 GPR35 (0.61) HDAC1BCL2L1TBXAS1GPR35
SCHEMBL8250577 0.71 BCL2L1 (0.61) HDAC1BCL2L1TBXAS1GPR35
SCHEMBL26110143 0.71 TBXAS1 (0.52) HDAC1BCL2L1TBXAS1GPR35

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed