SCHEMBL7303054

SCHEMBL7303054

O=C(O)C1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ITGAL P20701 4/20 0.52
NOTUM Q6P988 1/20 0.50
GAA P10253 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7303060 1.00 LMNA (0.69) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4508732 0.85 ALDH1A1 (0.70) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4508736 0.85 ALDH1A1 (0.70) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27568108 0.85 RAB9A (0.72) LMNAMEN1KMT2AALDH1A1RAB9A
SCHEMBL7302886 0.84 NPC1 (0.63) MEN1KMT2AALDH1A1CYP1A2RAB9A
SCHEMBL7302887 0.84 NPC1 (0.63) MEN1KMT2AALDH1A1CYP1A2RAB9A
SCHEMBL11618539 0.84 CYP1A2 (0.66) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL11618537 0.84 CYP1A2 (0.66) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5324731 0.83 NPC1 (0.66) RAB9ANPC1SMN1; SMN2ITGALMAPT
SCHEMBL5324726 0.83 NPC1 (0.66) RAB9ANPC1SMN1; SMN2ITGALMAPT

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-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed