SCHEMBL9784411

SCHEMBL9784411

CCCCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.53
▸ HDAC1 Q13547 5/20 0.53
▸ HDAC3 O15379 3/20 0.53
▸ HDAC2 Q92769 3/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PPARA Q07869 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SOAT1 P35610 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ THRB P10828 1/20 0.46

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
SCHEMBL10886244 0.96 MEN1 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10886551 0.95 MEN1 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10889513 0.95 MEN1 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10887690 0.95 MEN1 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10889251 0.91 KMT2A (0.50) MEN1KMT2ASMN1; SMN2LMNAPPARA
SCHEMBL9784527 0.89 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNAPPARA
SCHEMBL11140628 0.89 MEN1 (0.57) MEN1KMT2ASMN1; SMN2LMNAPPARA
SCHEMBL10891208 0.88 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10890123 0.88 KDM4E (0.53) HDAC6HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL11138241 0.87 SMN1; SMN2 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8

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
US-5003106-A Antiatherosclerotic ureas and thioureas AMERICAN CYANAMID COMPANY (US) 1991-03-26 — — US disclosed
US-4623662-A ANTICHOLESTEROL, ANTILIPEMIC AMERICAN CYANAMID COMPANY (US) 1986-11-18 — — US disclosed
Send feedback