SCHEMBL9547341

SCHEMBL9547341

N#CC=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ENPP2 Q13822 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
KCNN4 O15554 1/20 0.30
NR1I2 O75469 1/20 0.30
GMNN O75496 1/20 0.30

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
SCHEMBL9547333 1.00 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2HDAC3
SCHEMBL26704592 0.80 KDM4E (0.44) CYP11B1CYP11B2ENPP2HDAC6MEN1
SCHEMBL4022652 0.78 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL312750 0.78 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL7684568 0.77 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL7684566 0.77 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL8687555 0.76 CYP11B1 (0.42) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL6714982 0.76 RAB9A (0.42) CYP11B1CYP11B2ENPP2SIRT2HDAC3
SCHEMBL4386360 0.76 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2CYP3A4
SCHEMBL6923215 0.76 CYP11B1 (0.42) CYP11B1CYP11B2ENPP2SIRT2MEN1

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
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed