SCHEMBL9526694

SCHEMBL9526694

CCN(C(C)=O)c1ccc2c(c1)Cc1c-2[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.55
CA2 P00918 12/20 0.55
CA4 P22748 12/20 0.55
CA6 P23280 12/20 0.55
PARP1 P09874 5/20 0.46
MPL P40238 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8946519 0.83 CA1 (0.63) CA1CA2CA4CA6PARP1
SCHEMBL11703717 0.76 KDM4E (0.50) MEN1KMT2A
SCHEMBL9527759 0.74 CA1 (0.60) CA1CA2CA4CA6PARP1
SCHEMBL9526768 0.71 CA1 (0.59) CA1CA2CA4CA6PARP1
SCHEMBL9527483 0.70 KMT2A (0.36) MEN1KMT2A
SCHEMBL29370925 0.68 CA1 (1.00) CA1CA2CA4CA6MEN1
SCHEMBL2298597 0.68 CA1 (1.00) CA1CA2CA4CA6MEN1
SCHEMBL3797212 0.64 SMN1; SMN2 (0.49) MEN1KMT2A
SCHEMBL2296063 0.64 CA1 (0.83) CA1CA2CA4CA6PARP1
SCHEMBL2300747 0.64 CA1 (1.00) CA1CA2CA4CA6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed