SCHEMBL15775671

SCHEMBL15775671

CCCCCc1cc2c(N)cccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 1.00
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
PARP2 Q9UGN5 1/20 0.50
GPR84 Q9NQS5 6/20 0.49
KMT2A Q03164 1/20 0.43

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
SCHEMBL15775454 0.83 PARP1 (1.00) PARP1PARP2
SCHEMBL4859629 0.83 PARP1 (0.71) PARP1CTSVCTSLGPR84KMT2A
SCHEMBL2532412 0.79 PARP1 (0.65) PARP1CTSVCTSLGPR84KMT2A
SCHEMBL15775820 0.79 PARP1 (0.64) PARP1CTSVCTSLGPR84KMT2A
SCHEMBL9540950 0.76 PARP1 (0.61) PARP1CTSVCTSLGPR84
SCHEMBL7343701 0.74 LOXL2 (0.60) PARP1CTSVCTSLGPR84KMT2A
SCHEMBL423379 0.72 PARP1 (1.00) PARP1
SCHEMBL5750392 0.70 PARP1 (0.53) PARP1
SCHEMBL5747812 0.70 PARP1 (0.53) PARP1
SCHEMBL5746985 0.70 PARP1 (0.53) PARP1

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

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