SCHEMBL29957773

SCHEMBL29957773

COc1cc(C=O)cc(F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
ERN1 O75460 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FDPS P14324 1/20 0.33
CASP7 P55210 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1618933 0.86 ALDH1A1 (0.47) ALDH1A1LMNATSHRSMN1; SMN2CYP2A6
SCHEMBL7999555 0.79 CYP2A6 (0.33) ALDH1A1SMN1; SMN2CYP2A6KDM4E
SCHEMBL1619663 0.78 CYP1A2 (0.41) ALDH1A1LMNATSHRSMN1; SMN2CYP2A6
SCHEMBL24435029 0.78 CYP1A2 (0.36) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL2567300 0.77 ALDH1A1 (0.37) ALDH1A1LMNATSHRSMN1; SMN2CYP2A6
SCHEMBL29953912 0.74 SRC (0.36) ALDH1A1LMNACYP2A6
SCHEMBL3698437 0.73 LMNA (0.50) ALDH1A1LMNATSHRSMN1; SMN2CYP2A6
SCHEMBL18205535 0.73 LMNA (0.39) ALDH1A1LMNATSHRSMN1; SMN2KDM4E
SCHEMBL1901364 0.71 LMNA (0.38) ALDH1A1LMNATSHRSMN1; SMN2KDM4E
SCHEMBL13485730 0.71 PDE2A (0.38) ALDH1A1LMNASMN1; SMN2KDM4EGAA

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