SCHEMBL4554024

SCHEMBL4554024

O=C(NC1CCCC(c2nc3cc(CCl)ccc3n2CI)C1)c1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ CHRNA7 P36544 2/20 0.43
▸ ACHE P22303 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CXCR6 O00574 1/20 0.38
▸ SLC6A12 P48065 1/20 0.38
▸ SLC6A13 Q9NSD5 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL3199435 0.89 NPC1 (0.48) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL3222808 0.84 NPC1 (0.48) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL3202564 0.82 NPC1 (0.48) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL13490431 0.81 NPC1 (0.48) NPC1RAB9ACHRNA7ACHETP53
Hydrochloric Acid SCHEMBL3224048 0.80 NPC1 (0.47) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL3199540 0.80 NPC1 (0.50) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL13490310 0.80 NPC1 (0.50) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL3210950 0.80 NPC1 (0.46) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL13490428 0.79 NPC1 (0.49) NPC1RAB9ACHRNA7ACHETP53
SCHEMBL3223316 0.79 NPC1 (0.49) NPC1RAB9ACHRNA7ACHETP53

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-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 — — EP disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 — — WO disclosed
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