SCHEMBL15775367

SCHEMBL15775367

Cc1ccc(-c2cc3c(N)cccc3c(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 1.00
TNKS O95271 7/20 0.66
TNKS2 Q9H2K2 1/20 0.66
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL15791062 0.86 PARP1 (0.77) PARP1TNKSTNKS2CTSVCTSL
SCHEMBL15775666 0.86 PARP1 (1.00) PARP1TNKSTNKS2CTSVCTSL
Bromide SCHEMBL15775831 0.85 PARP1 (0.75) PARP1TNKSTNKS2CTSVCTSL
SCHEMBL15791061 0.85 PARP1 (1.00) PARP1TNKSTNKS2
SCHEMBL15569241 0.84 PARP1 (0.73) PARP1TNKSTNKS2CTSVCTSL
SCHEMBL15775405 0.84 PARP1 (1.00) PARP1TNKSTNKS2HPGDRAB9A
Hydrochloric Acid SCHEMBL15775429 0.84 PARP1 (0.97) PARP1TNKSTNKS2
Bromide SCHEMBL15775373 0.84 PARP1 (0.73) PARP1TNKSTNKS2
SCHEMBL15567668 0.82 PARP1 (0.69) PARP1TNKSTNKS2CTSVCTSL
SCHEMBL15775979 0.81 PARP1 (0.69) PARP1TNKSTNKS2

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed