SCHEMBL29957710

SCHEMBL29957710

[C-]#[N+]C(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK7 P50613 1/20 0.50
CCNH P51946 1/20 0.50
CCNA1 P78396 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
CES2 O00748 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5851883 1.00 FFAR1 (0.50) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL29952320 0.83 ALDH1A1 (0.46) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL5837673 0.83 HTT (0.41) KMT2AMAPTHTTALDH1A1GAA
SCHEMBL30716693 0.82 CES2 (0.37) CES2TP53NFE2L2ALDH1A1BCHE
SCHEMBL4833791 0.82 CES2 (0.37) CES2TP53NFE2L2ALDH1A1BCHE
SCHEMBL5851624 0.80 MAPT (0.44) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL29952039 0.80 MAPT (0.44) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL571272 0.80 EGFR (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL4473496 0.80 NPY2R (0.36) MAPTTP53HTTBCHEACHE
SCHEMBL408195 0.78 NPY2R (0.47) MEN1KMT2ANPSR1MAPTLMNA

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