SCHEMBL11672793

SCHEMBL11672793

NC(S)C(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.62
▸ POLB P06746 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.51
▸ CNR1 P21554 3/20 0.51
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ PGGT1B P53609 1/20 0.49
▸ CASR P41180 1/20 0.49
▸ GRIK1 P39086 1/20 0.47

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
SCHEMBL4653271 0.84 TAAR1 (0.73) MGLLPOLBTAAR1CNR1HDAC1
SCHEMBL1750966 0.84 TAAR1 (0.73) MGLLPOLBTAAR1CNR1HDAC1
SCHEMBL1751962 0.81 MGLL (0.58) MGLLPOLBTAAR1CNR1HDAC1
SCHEMBL4653148 0.81 MGLL (0.58) MGLLPOLBTAAR1CNR1HDAC1
SCHEMBL27964915 0.80 MGLL (0.66) MGLLPOLBCNR1HDAC1HDAC6
SCHEMBL12805649 0.80 MGLL (0.66) MGLLPOLBTAAR1CNR1KDM4E
SCHEMBL27965260 0.79 MGLL (0.64) MGLLPOLBCNR1HDAC1HDAC6
SCHEMBL4082541 0.78 MGLL (0.72) MGLLPOLBCNR1HDAC1HDAC6
SCHEMBL30164935 0.78 MGLL (0.72) MGLLPOLBCNR1HDAC1HDAC6
SCHEMBL30331540 0.77 MGLL (0.78) MGLLPOLBCNR1HDAC1HDAC6

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-4005123-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 — — US disclosed
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