SCHEMBL7919942

SCHEMBL7919942

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2ccc(C(=O)NCCC(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 4/20 0.59
CDK4 P11802 6/20 0.58
CCND1 P24385 6/20 0.58
HDAC8 Q9BY41 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL28072305 0.83 RUVBL1 (0.65) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL11860142 0.83 RUVBL1 (0.65) RUVBL1HDAC8HDAC3HDAC1HDAC6
Hydrochloric Acid SCHEMBL19748758 0.82 RUVBL1 (0.73) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL9609465 0.82 MEN1 (0.71) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL30767397 0.82 MEN1 (0.71) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL9610738 0.82 MEN1 (0.71) RUVBL1HDAC8HDAC3HDAC1HDAC6
Hydrochloric Acid SCHEMBL19747056 0.81 MEN1 (0.69) RUVBL1HDAC8HDAC3HDAC1HDAC6
Hydrochloric Acid SCHEMBL21082966 0.81 MEN1 (0.69) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL4523817 0.80 RUVBL1 (0.67) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL8252240 0.79 RUVBL1 (0.70) RUVBL1HDAC8HDAC3HDAC1HDAC6

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-6228985-B1 COMPOUNDS THAT INHIBIT INTERACTION OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR WITH UROKINASE-TYPE PLASMINOGEN RECEPTOR; ANTITUMOR AGENTS; ANTIMETASTASIS AGENTS; ANTIARTHRITIC AGENTS FOR RHEUMATOID ARTHRITIS SCHERING CORPORATION 2001-05-08 US disclosed