SCHEMBL3422797

SCHEMBL3422797

CCN(CC)[C@@H]1CCN(C(=O)Oc2cc(F)ccc2C=C2SC(N3CCCCN3)=NC2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.39
▸ KMT2A Q03164 11/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ ACKR3 P25106 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ CBX7 O95931 1/20 0.33
▸ CDYL2 Q8N8U2 1/20 0.33
▸ CDYL Q9Y232 1/20 0.33
▸ CDY1; CDY1B Q9Y6F8 1/20 0.33

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
SCHEMBL3422794 1.00 MEN1 (0.39) MEN1KMT2ANPC1ACKR3RAB9A
SCHEMBL13616200 1.00 MEN1 (0.39) MEN1KMT2ANPC1ACKR3RAB9A
SCHEMBL13616417 1.00 MEN1 (0.39) MEN1KMT2ANPC1ACKR3RAB9A
SCHEMBL13616050 0.96 MEN1 (0.40) MEN1KMT2ANPC1ACKR3RAB9A
SCHEMBL13616051 0.96 MEN1 (0.40) MEN1KMT2ANPC1ACKR3RAB9A
SCHEMBL13616410 0.95 NPC1 (0.38) MEN1KMT2ANPC1ACKR3RAB9A
SCHEMBL13616204 0.95 NPC1 (0.38) MEN1KMT2ANPC1ACKR3RAB9A
SCHEMBL13616415 0.95 NPC1 (0.38) MEN1KMT2ANPC1ACKR3RAB9A
Hydrochloric Acid SCHEMBL3430514 0.95 MEN1 (0.39) MEN1KMT2ANPC1ACKR3RAB9A
Hydrochloric Acid SCHEMBL3404742 0.95 MEN1 (0.39) MEN1KMT2ANPC1ACKR3RAB9A

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-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 — — EP disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO disclosed
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