SCHEMBL29958095

SCHEMBL29958095

CCCSc1ncc(C(F)(F)F)cc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.40
PKM P14618 3/20 0.38
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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 0.88 PKM (0.40) NPSR1PKMPTGS1PTGS2AGBL2
SCHEMBL15332161 0.81 ALDH1A1 (0.44) NPSR1PKMPTGS1PTGS2AGBL2
SCHEMBL29953834 0.80 AGBL2 (0.37) NPSR1PKMPTGS1PTGS2AGBL2
SCHEMBL7676239 0.79 NPSR1 (0.56) NPSR1PKMLMNASMN1; SMN2ALDH1A1
SCHEMBL15916734 0.76 FFAR4 (0.41) NPSR1PKMPTGS1PTGS2AGBL2
SCHEMBL29956417 0.76 FFAR4 (0.41) NPSR1PKMPTGS1PTGS2AGBL2
SCHEMBL29955314 0.72 AGBL2 (0.41) NPSR1PKMAGBL2LMNASMN1; SMN2
SCHEMBL16592104 0.72 NPSR1 (0.55) NPSR1PKMLMNASMN1; SMN2ALDH1A1
SCHEMBL17315639 0.71 NPSR1 (0.46) NPSR1PTGS2AGBL2LMNASMN1; SMN2
SCHEMBL3108377 0.71 AGBL2 (0.40) NPSR1PKMAGBL2LMNASMN1; SMN2

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