SCHEMBL28065646

SCHEMBL28065646

NCCNc1cc(OC(N)=O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KIF11 P52732 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
FERMT2 Q96AC1 2/20 0.35
SYK P43405 2/20 0.35
KCNH2 Q12809 1/20 0.35
TOP1 P11387 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IDO1 P14902 1/20 0.33
PLK4 O00444 1/20 0.33

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
SCHEMBL28334498 0.80 CDK2 (0.45) MAPTIDO1FLT1
SCHEMBL5265818 0.75 MEN1 (0.57) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL30063441 0.75 MEN1 (0.57) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL28136523 0.74 KDM6B (0.40) MEN1KMT2ANPSR1KDM4CHDAC1
SCHEMBL28279536 0.73 MEN1 (0.47) MEN1KMT2AKIF11
SCHEMBL16702566 0.73 KDM4E (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28065647 0.72 MEN1 (0.40) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL27602806 0.72 KMT2A (0.53) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL29250971 0.72 MEN1 (0.53) MEN1KMT2ANPC1RAB9AKIF11
SCHEMBL27653420 0.71 MEN1 (0.48) MEN1KMT2AKIF11IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682656-B Compositions and methods for modulating farnesoid X receptors 诺华股份有限公司 2019-11-05 CN disclosed
CN-105682656-A Compositions and methods for modulating farnesoid x receptors 诺华股份有限公司 2016-06-15 CN disclosed