SCHEMBL27605901

SCHEMBL27605901

O=C1CCCCN1c1ccc(CNCc2ccc3[nH]c(Cc4ccc(Cl)s4)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.46
▸ F2 P00734 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27624731 0.89 F10 (0.54) F10F2MAPTLMNAHPGD
SCHEMBL3867575 0.84 F10 (0.64) F10F2MAPTLMNAHPGD
SCHEMBL3861689 0.73 F10 (0.69) F10F2MAPTLMNAHPGD
SCHEMBL3864158 0.73 F10 (0.72) F10MAPTLMNAHPGDTSHR
SCHEMBL3864135 0.72 F10 (0.65) F10F2MAPTLMNAHPGD
SCHEMBL3867405 0.71 F10 (0.66) F10F2
SCHEMBL3866380 0.71 F10 (0.60) F10F2
SCHEMBL3866715 0.70 F10 (0.88) F10
SCHEMBL3872206 0.69 F10 (0.61) F10MAPTLMNAHPGDTSHR
SCHEMBL1678573 0.69 F10 (0.60) F10MAPTLMNAHPGDTSHR

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
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 — — CN claimed
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 — — CN disclosed
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