SCHEMBL29025544

SCHEMBL29025544

CN(C)c1ccc2cc(C(=O)N[C@@H](CCCNC(=O)CF)c3ncc(-c4ccc(Cl)cc4)o3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 16/20 0.39
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ PADI6 Q6TGC4 1/20 0.37
▸ PADI4 Q9UM07 1/20 0.37
▸ PADI2 Q9Y2J8 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL29025548 1.00 UTS2R (0.39) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL26667458 0.93 UTS2R (0.38) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL24301584 0.93 UTS2R (0.38) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL29025662 0.92 PDE4A (0.42) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL30504325 0.92 PDE4A (0.42) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL29025661 0.92 PDE4A (0.42) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL26667401 0.87 UTS2R (0.42) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL24301585 0.87 UTS2R (0.42) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL29025628 0.87 PDE4A (0.46) UTS2RHDAC1HDAC6PDE4APDE4B
SCHEMBL26902789 0.86 HDAC1 (0.36) UTS2RHDAC1HDAC6PDE4APDE4B

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-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 — — CN disclosed
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