SCHEMBL29957490

SCHEMBL29957490

OB(O)c1cc(C(F)(F)F)cnc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
PLAU P00749 1/20 0.37
MGLL Q99685 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL3108377 1.00 AGBL2 (0.40) AGBL2ALDH1A1PLAUMGLLSMN1; SMN2
SCHEMBL29955314 0.82 AGBL2 (0.41) AGBL2ALDH1A1PLAUMGLLSMN1; SMN2
SCHEMBL1922790 0.79 ALDH1A1 (0.45) AGBL2ALDH1A1PLAUSMN1; SMN2MAPK1
SCHEMBL29957188 0.79 ALDH1A1 (0.41) AGBL2ALDH1A1PLAUMGLLSMN1; SMN2
SCHEMBL2557968 0.78 ALDH1A1 (0.36) AGBL2ALDH1A1PLAUMGLLSMN1; SMN2
SCHEMBL29953834 0.77 AGBL2 (0.37) AGBL2ALDH1A1PLAUSMN1; SMN2MAPK1
SCHEMBL2634295 0.77 CYP1A2 (0.41) AGBL2ALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL17987938 0.75 AGBL2 (0.49) AGBL2ALDH1A1PLAUSMN1; SMN2MAPK1
SCHEMBL3576871 0.75 AGBL2 (0.35) AGBL2
SCHEMBL29955213 0.75 AGBL2 (0.35) AGBL2

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