SCHEMBL6650846

SCHEMBL6650846

Cc1nc(O)c2c(n1)C(c1ccc(Cl)cc1Cl)CCC2C[N+](=O)[O-].[NaH]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5113417 0.99 TP53 (0.35) TP53NPC1S1PR4LMNAMAPT
SCHEMBL5106321 0.89 TP53 (0.34) TP53NPC1S1PR4LMNAMAPT
SCHEMBL5105876 0.81 TP53 (0.34) TP53
SCHEMBL5498704 0.72 TP53 (0.36) TP53MAPT
SCHEMBL5112642 0.71 ALDH1A1 (0.43) TP53S1PR4HPGD
SCHEMBL5139368 0.70 TP53 (0.33) TP53
SCHEMBL5487155 0.70 TP53 (0.38) TP53
SCHEMBL5113296 0.68 TP53 (0.36) TP53LMNA
SCHEMBL5492086 0.65 TP53 (0.36) TP53
SCHEMBL5099902 0.63 CRHR1 (0.55) TP53

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-1383498-A1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002087573-A1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed