SCHEMBL9440908

SCHEMBL9440908

Nc1ccc(CNC(=O)CN(CCN(CC(=O)NCc2ccc(N)cc2)CC(=O)NCc2ccc(N)cc2)CCN(CC(=O)NCc2ccc(N)cc2)CC(=O)NCc2ccc(N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.62
CA2 P00918 15/20 0.62
CA4 P22748 6/20 0.62
CA12 O43570 4/20 0.62
CA9 Q16790 4/20 0.62
TPSAB1 Q15661 2/20 0.47
EPHX2 P34913 1/20 0.44
PPID Q08752 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7512416 0.94 CA1 (0.71) CA1CA2CA4CA12CA9
SCHEMBL7504982 0.85 CA2 (0.49) CA1CA2CA4CA12CA9
SCHEMBL14100114 0.81 TPSAB1 (0.50) CA1CA2CA12CA9TPSAB1
SCHEMBL9856623 0.79 CA1 (0.68) CA1CA2CA4CA12CA9
SCHEMBL21781874 0.77 CA1 (0.64) CA1CA2TPSAB1EPHX2PPID
SCHEMBL18868428 0.77 ALDH1A1 (0.61) CA1CA2CA12CA9TPSAB1
SCHEMBL9705794 0.77 CA1 (0.68) CA1CA2CA4CA12CA9
SCHEMBL25296370 0.76 CA1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL15651444 0.75 PPID (0.54) TPSAB1EPHX2PPID
SCHEMBL3517253 0.75 TPSAB1 (0.53) CA1CA2TPSAB1EPHX2PPID

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353295-B1 NOVEL AND IMPROVED ANTIBODIES FOR SITE SPECIFIC ATTACHMENT OF COMPOUNDS CYTOGEN CORP (US) 1994-04-06 EP claimed
EP-0382796-A4 METHOD FOR THE PREPARATION OF ANTIBODY-FRAGMENT CONJUGATES 1991-08-28 EP claimed
EP-0382796-A1 METHOD FOR THE PREPARATION OF ANTIBODY-FRAGMENT CONJUGATES CYTOGEN CORPORATION (US) 1990-08-22 EP claimed
US-4937183-A Therapy, diagnostis immunology CYTOGEN CORPORATION (US) 1990-06-26 US claimed
WO-1989007269-A1 METHOD FOR THE PREPARATION OF ANTIBODY-FRAGMENT CONJUGATES CYTOGEN CORPORATION (US) 1989-08-10 WO claimed
US-4741900-A Antibody-metal ion complexes CYTOGEN CORPORATION (US) 1988-05-03 US claimed