SCHEMBL29952771

SCHEMBL29952771

O=Cc1c(C2CCCCC2)[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KIF11 P52732 6/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CHUK O15111 1/20 0.37
AR P10275 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
KDM1A O60341 1/20 0.35
MCHR1 Q99705 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL29956270 0.93 KDM4E (0.44) KDM4EKIF11CNR1MEN1KMT2A
SCHEMBL15332675 0.87 KIF11 (0.41) KIF11MEN1KMT2ATRPV1
SCHEMBL29953069 0.86 KIF11 (0.42) KIF11MEN1KMT2ATRPV1S1PR1
SCHEMBL29957489 0.80 SIRT1 (0.46) KDM4EMEN1KMT2A
SCHEMBL15330972 0.80 KIF11 (0.44) KIF11MEN1KMT2ATRPV1S1PR1
SCHEMBL15331776 0.77 KDM4E (0.42) KDM4EKIF11CNR1MEN1KMT2A
SCHEMBL29951013 0.77 MTNR1A (0.55) KDM4EMEN1KMT2A
SCHEMBL1429356 0.77 MTNR1A (0.55) KDM4EMEN1KMT2A
SCHEMBL29952812 0.76 MAPT (0.52) CNR1MEN1KMT2A
SCHEMBL1428728 0.75 MTNR1A (0.54) KDM4EMEN1KMT2A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed