SCHEMBL27410408

SCHEMBL27410408

CC(=O)Oc1cc(-c2ccc(CN)cc2)n(Cc2ccc(C)c(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.39
▸ HDAC3 O15379 5/20 0.39
▸ HDAC4 P56524 5/20 0.39
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC7 Q8WUI4 5/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC10 Q969S8 5/20 0.39
▸ HDAC11 Q96DB2 5/20 0.39
▸ HDAC8 Q9BY41 5/20 0.39
▸ HDAC9 Q9UKV0 5/20 0.39
▸ HDAC5 Q9UQL6 5/20 0.39
▸ NCOR2 Q9Y618 5/20 0.39
▸ SLC16A3 O15427 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ MCTS1 Q9ULC4 1/20 0.35
▸ PDE5A O76074 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL27476563 0.87 SLC16A3 (0.39) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27433544 0.82 HDAC3 (0.40) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27537040 0.81 P2RY14 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27486656 0.81 HDAC6 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27432772 0.81 HDAC6 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27433542 0.74 MARS1 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27437124 0.74 HDAC3 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8369807 0.73 HDAC3 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27537043 0.73 SMN1; SMN2 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8366688 0.72 P2RY14 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1101813-C 3-pyrazolecarboxamide derivs. having cannabinoid receptor affinity SANOFI SYNTHELABO (FR) 2003-02-19 — — CN disclosed
CN-1207731-A 3-pyrazolecarboxamide derivs. having cannabinoid receptor affinity SANOFI SA (FR) 1999-02-10 — — CN disclosed
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