SCHEMBL11270330

SCHEMBL11270330

CC(C)(C)C(=O)/C(=C/c1ccccc1Cl)n1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.63
MAPT P10636 8/20 0.41
RAB9A P51151 7/20 0.39
ATM Q13315 4/20 0.39
HTT P42858 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 5/20 0.38
PKM P14618 4/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 6/20 0.36
NPSR1 Q6W5P4 4/20 0.36
KMT2A Q03164 4/20 0.36
TP53 P04637 3/20 0.36
CYP3A4 P08684 3/20 0.36
MEN1 O00255 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
AGTR1 P30556 2/20 0.36

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
SCHEMBL11270331 1.00 CYP24A1 (0.63) CYP24A1MAPTRAB9AATMHTT
SCHEMBL10997822 0.82 CYP24A1 (0.43) CYP24A1MAPTRAB9AATMSMN1; SMN2
SCHEMBL10997826 0.82 CYP24A1 (0.43) CYP24A1MAPTRAB9AATMSMN1; SMN2
SCHEMBL11436892 0.80 CYP24A1 (0.73) CYP24A1MAPTRAB9AATMHTT
SCHEMBL11145979 0.75 CYP24A1 (0.58) CYP24A1MAPTRAB9AATMHTT
SCHEMBL11145976 0.75 CYP24A1 (0.58) CYP24A1MAPTRAB9AATMHTT
SCHEMBL10997295 0.75 MAPT (0.49) CYP24A1MAPTHTTSMN1; SMN2PKM
SCHEMBL10997297 0.75 MAPT (0.49) CYP24A1MAPTHTTSMN1; SMN2PKM
SCHEMBL11147700 0.74 CYP24A1 (0.62) CYP24A1MAPTRAB9AHTTSMN1; SMN2
SCHEMBL11147702 0.74 CYP24A1 (0.62) CYP24A1MAPTRAB9AHTTSMN1; SMN2

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-0048827-A1 Substituted 2,4-dichlorophenyl-imidazolyl-vinyl ketones, processes for their preparation and antimicrobial agents containing these compounds BAYER AG (DE) 1982-04-07 EP disclosed