SCHEMBL8368094

SCHEMBL8368094

COC(=O)c1cc(-c2ccc(C)cc2)n(Cc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.50
▸ HDAC4 P56524 3/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC7 Q8WUI4 3/20 0.50
▸ HDAC2 Q92769 3/20 0.50
▸ HDAC10 Q969S8 3/20 0.50
▸ HDAC11 Q96DB2 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC9 Q9UKV0 3/20 0.50
▸ HDAC5 Q9UQL6 3/20 0.50
▸ NCOR2 Q9Y618 3/20 0.50
▸ RPA1 P27694 1/20 0.48
▸ MALT1 Q9UDY8 1/20 0.47
▸ CNR2 P34972 4/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ NOTUM Q6P988 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL8369821 0.92 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8364849 0.90 RPA1 (0.53) RPA1MALT1NOTUMSMN1; SMN2
SCHEMBL8366421 0.89 NOTUM (0.46) MALT1CNR2CNR1NOTUMGAA
SCHEMBL5902441 0.89 CNR2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8369218 0.87 RPA1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8046115 0.87 RPA1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8366452 0.86 RPA1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL8369220 0.86 RPA1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8366716 0.84 SMN1; SMN2 (0.53) RPA1MALT1SMN1; SMN2
SCHEMBL8367190 0.84 MEN1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 — — US disclosed
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