SCHEMBL18536645

SCHEMBL18536645

C=C(Nc1ccccc1C)[C@@H]1CCCN1C(=C)CC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 5/20 0.51
▸ ITGA4 P13612 5/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGAV P06756 1/20 0.51
▸ ITGA5 P08648 1/20 0.51
▸ TSHR P16473 2/20 0.48
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL18576765 0.71 HSD17B10 (0.36) L3MBTL1
SCHEMBL18927575 0.70 RIPK1 (0.59) —
SCHEMBL15704276 0.69 RAB9A (0.48) ITGB1ITGB3ITGAVITGA5HTT
SCHEMBL18573595 0.69 LMNA (0.55) —
SCHEMBL11987662 0.67 NPSR1 (0.76) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL23139723 0.67 RIPK1 (0.43) —
SCHEMBL5763695 0.67 ITGB1 (0.79) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL18536665 0.67 ITGB1 (0.41) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL11987663 0.66 LMNA (0.64) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL12704221 0.65 HSD17B10 (0.38) L3MBTL1

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
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 — — EP disclosed
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