SCHEMBL29954429

SCHEMBL29954429

CCSc1ncc(C(F)(F)F)cc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.40
NPSR1 Q6W5P4 5/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 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
SCHEMBL29958095 0.88 NPSR1 (0.40) PKMNPSR1AGBL2PTGS1PTGS2
SCHEMBL15332161 0.84 ALDH1A1 (0.44) PKMNPSR1AGBL2PTGS1PTGS2
SCHEMBL29953834 0.82 AGBL2 (0.37) PKMNPSR1AGBL2PTGS1PTGS2
SCHEMBL20994335 0.79 SMN1; SMN2 (0.40) PKMNPSR1AGBL2PTGS1PTGS2
SCHEMBL15916734 0.78 FFAR4 (0.41) PKMNPSR1AGBL2PTGS1PTGS2
SCHEMBL29956417 0.78 FFAR4 (0.41) PKMNPSR1AGBL2PTGS1PTGS2
SCHEMBL29955314 0.74 AGBL2 (0.41) PKMNPSR1AGBL2SMN1; SMN2ALDH1A1
SCHEMBL17315639 0.73 NPSR1 (0.46) NPSR1AGBL2PTGS2SMN1; SMN2ALDH1A1
SCHEMBL3108377 0.73 AGBL2 (0.40) PKMNPSR1AGBL2SMN1; SMN2ALDH1A1
SCHEMBL29957490 0.73 AGBL2 (0.40) PKMNPSR1AGBL2SMN1; SMN2ALDH1A1

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