SCHEMBL11436892

SCHEMBL11436892

CC(C)(C)C(=O)C(=Cc1ccc(Cl)cc1)n1ccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.73
RAB9A P51151 3/20 0.62
ATM Q13315 2/20 0.62
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL10990268 0.88 CYP24A1 (0.58) CYP24A1RAB9AATMMAPTNPC1
SCHEMBL10990265 0.88 CYP24A1 (0.58) CYP24A1RAB9AATMMAPTNPC1
SCHEMBL29699892 0.83 RAB9A (0.64) CYP24A1RAB9AATMMAPTNPC1
SCHEMBL10833936 0.82 CYP24A1 (0.50) CYP24A1RAB9AATMMAPTSMN1; SMN2
SCHEMBL10833934 0.82 CYP24A1 (0.50) CYP24A1RAB9AATMMAPTSMN1; SMN2
SCHEMBL10615060 0.81 MAPT (0.62) CYP24A1RAB9AATMMAPTHTT
SCHEMBL11270330 0.80 CYP24A1 (0.63) CYP24A1RAB9AATMMAPTNPC1
SCHEMBL11270331 0.80 CYP24A1 (0.63) CYP24A1RAB9AATMMAPTNPC1
SCHEMBL11145979 0.77 CYP24A1 (0.58) CYP24A1RAB9AATMMAPTNPC1
SCHEMBL11145976 0.77 CYP24A1 (0.58) CYP24A1RAB9AATMMAPTNPC1

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
US-4203995-A 1-Phenyl-2-azolyl-4,4-dimethyl-1-penten-3-ols and the fungicidal use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed