SCHEMBL9496958

SCHEMBL9496958

CCCCCC(N)NC(=O)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.74
POLB P06746 1/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.50
CNR1 P21554 1/20 0.48
CSNK1E P49674 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL15064314 0.85 CNR2 (1.00) CNR2POLBMEN1KMT2ACYP1A2
SCHEMBL15087599 0.84 CNR2 (0.97) CNR2POLBMEN1KMT2ACNR1
SCHEMBL30444477 0.82 CNR2 (0.68) CNR2POLBMEN1KMT2A
SCHEMBL31661673 0.81 CNR2 (0.72) CNR2POLBMEN1KMT2A
SCHEMBL1856691 0.81 CNR2 (0.72) CNR2POLBMEN1KMT2ACNR1
SCHEMBL8695595 0.81 CNR2 (0.72) CNR2POLBMEN1KMT2A
SCHEMBL1852549 0.81 CNR2 (0.72) CNR2POLBMEN1KMT2ACNR1
SCHEMBL15064610 0.80 CNR2 (1.00) CNR2POLBMEN1KMT2ACYP1A2
SCHEMBL31616456 0.80 CNR2 (0.70) CNR2POLBMEN1KMT2ACNR1
SCHEMBL4368421 0.79 CTSL (0.57)

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-0531080-A2 Peptide inhibitors of human papilloma virus protein binding to retinoblastoma gene protein MERCK & CO. INC. (US) 1993-03-10 EP disclosed
EP-0412762-A2 Peptide inhibitors of human papilloma virus protein binding to retinoblastoma gene proteins MERCK & CO. INC. (US) 1991-02-13 EP disclosed