SCHEMBL7478975

SCHEMBL7478975

CNCCNc1nc2c(NC(=O)c3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCC(=C=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.31
HDAC3 O15379 1/20 0.30
BRD4 O60885 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
PTGES O14684 1/20 0.30
GPR6 P46095 1/20 0.30

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
Hydrochloric Acid SCHEMBL7485053 0.95 PTGES (0.33) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7975620 0.93 AVPR2 (0.34) MAP3K7HDAC3BRD4HDAC4HDAC1
Hydrochloric Acid SCHEMBL7953946 0.92 AVPR2 (0.34) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7963910 0.91 PTK2 (0.33) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7965063 0.91 PTGES (0.34) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7964770 0.91 MAP3K7 (0.33) MAP3K7HDAC3BRD4HDAC4HDAC1
Hydrochloric Acid SCHEMBL7970313 0.90 PTK2 (0.33) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7966512 0.90 BTK (0.34) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7482003 0.90 MAP3K7 (0.33) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7967059 0.90 JAK2 (0.33) MAP3K7GPR6

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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed