SCHEMBL7482003

SCHEMBL7482003

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(N)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.33
BTK Q06187 5/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
LCK P06239 1/20 0.33
LYN P07948 1/20 0.33
KIT P10721 1/20 0.33
TYK2 P29597 1/20 0.33
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BMX P51813 1/20 0.33
ITK Q08881 1/20 0.33
HDAC3 O15379 1/20 0.32
BRD4 O60885 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL7964770 0.94 MAP3K7 (0.33) MAP3K7BTKAURKAJAK2LCK
SCHEMBL7597522 0.93 MAP3K7 (0.36) MAP3K7LCKABCB1ABCG2
SCHEMBL7966512 0.93 BTK (0.34) MAP3K7BTKAURKAJAK2LCK
Hydrochloric Acid SCHEMBL7965629 0.93 MAP3K7 (0.36) MAP3K7LCKABCB1ABCG2
SCHEMBL7964677 0.93 HDAC3 (0.34) MAP3K7BTKAURKAJAK2LCK
SCHEMBL7480014 0.93 MAP3K7 (0.32) MAP3K7BTKAURKAJAK2LCK
SCHEMBL7965063 0.93 PTGES (0.34) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7962954 0.92 AVPR2 (0.34) MAP3K7BTKAURKAJAK2LCK
SCHEMBL7962042 0.92 HDAC3 (0.32) MAP3K7BTKAURKAJAK2LCK
SCHEMBL7963902 0.92 HTR3A (0.35) MAP3K7BTKAURKAJAK2LCK

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