SCHEMBL11617899

SCHEMBL11617899

Cn1c(-c2ccc(CBr)cc2)cc2onc(-c3ccc(F)cc3)c2c1=O

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
NR4A2 P43354 6/20 0.62
DCTPP1 Q9H773 5/20 0.62
TSHR P16473 1/20 0.62
MITF O75030 1/20 0.60

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
SCHEMBL11418944 0.91 NPC1 (0.76) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5533836 0.90 NPC1 (0.80) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11616376 0.89 NPC1 (0.63) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2486400 0.87 NR4A2 (0.82) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11613581 0.87 NR4A2 (0.77) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11413840 0.86 NPC1 (0.85) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11617747 0.86 NPC1 (0.80) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11406007 0.86 NPC1 (0.85) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11616811 0.80 NPC1 (0.74) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11406672 0.79 NPC1 (0.80) NPC1RAB9ACASP3SENP8SENP7

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
US-4086421-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1978-04-25 US disclosed
US-4049813-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-09-20 US disclosed