SCHEMBL31092020

SCHEMBL31092020

Cc1cc(C(F)(F)F)cc(N2C(=O)CC[C@H]2C(=O)OC(C)(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLQ O75417 15/20 0.59
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC5 Q9UQL6 1/20 0.48
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL25938084 0.89 POLQ (0.61) POLQCNR1CNR2
SCHEMBL25938086 0.89 POLQ (0.61) POLQCNR1CNR2
SCHEMBL30557565 0.89 POLQ (0.61) POLQCNR1CNR2
SCHEMBL29268304 0.87 POLQ (0.59) POLQHDAC1HDAC8HDAC6
SCHEMBL29268302 0.87 POLQ (0.59) POLQHDAC1HDAC8HDAC6
SCHEMBL26093806 0.86 POLQ (0.58) POLQHDAC1HDAC8HDAC6CNR1
SCHEMBL25334561 0.85 POLQ (0.64) POLQCNR1CNR2
SCHEMBL30978260 0.85 POLQ (0.64) POLQCNR1CNR2
SCHEMBL25938092 0.85 POLQ (0.64) POLQCNR1CNR2
SCHEMBL29734980 0.84 POLQ (0.63) POLQCNR1CNR2

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-2024219794-A1 SUBSTITUTED ACETYLENE COMPOUND DERIVATIVES AND THEIR PHARMACEUTICAL USE AVELOS THERAPEUTICS INC. (KR) 2024-10-24 WO disclosed