SCHEMBL29953834

SCHEMBL29953834

CSc1ncc(C(F)(F)F)cc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.37
PKM P14618 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL29954429 0.82 PKM (0.40) AGBL2PKMMEN1KMT2AL3MBTL1
SCHEMBL15916734 0.82 FFAR4 (0.41) AGBL2PKMMEN1KMT2AL3MBTL1
SCHEMBL29956417 0.82 FFAR4 (0.41) AGBL2PKMMEN1KMT2AL3MBTL1
SCHEMBL29958095 0.80 NPSR1 (0.40) AGBL2PKMMEN1KMT2AL3MBTL1
SCHEMBL15332161 0.79 ALDH1A1 (0.44) AGBL2PKMMEN1KMT2AL3MBTL1
SCHEMBL29955314 0.78 AGBL2 (0.41) AGBL2PKMKMT2AALDH1A1SMN1; SMN2
SCHEMBL29957490 0.77 AGBL2 (0.40) AGBL2PKMKMT2AALDH1A1SMN1; SMN2
SCHEMBL3108377 0.77 AGBL2 (0.40) AGBL2PKMKMT2AALDH1A1SMN1; SMN2
SCHEMBL1922790 0.75 ALDH1A1 (0.45) AGBL2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29957188 0.75 ALDH1A1 (0.41) AGBL2MEN1KMT2ACYP1A2CYP2C19

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