SCHEMBL8198399

SCHEMBL8198399

NC(=O)C(C(=O)NC1CCSc2ccccc21)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48

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
SCHEMBL14521552 0.80 KMT2A (0.60) NPC1ALDH1A1KMT2AMEN1TDP1
SCHEMBL6164740 0.78 ALPL (0.55) NPC1KMT2AMEN1TDP1USP2
SCHEMBL14277889 0.75 POLB (0.64) NPC1KMT2AMEN1TDP1USP2
SCHEMBL7504253 0.75 POLB (0.64) NPC1KMT2AMEN1TDP1USP2
SCHEMBL7499733 0.71 ALDH1A1 (0.62) NPC1ALDH1A1KMT2AMEN1TDP1
SCHEMBL6166102 0.69 NPC1 (0.52) NPC1KMT2AMEN1TDP1USP2
SCHEMBL5387895 0.68 ALDH1A1 (0.50) NPC1ALDH1A1KMT2AMEN1TDP1
SCHEMBL5395538 0.68 ALDH1A1 (0.50) NPC1ALDH1A1KMT2AMEN1TDP1
SCHEMBL660720 0.68 KDM4C (0.47) NPC1ALDH1A1KMT2AMEN1USP2
SCHEMBL8517299 0.68 USP2 (0.56) NPC1KMT2AMEN1TDP1USP2

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
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed