SCHEMBL29953541

SCHEMBL29953541

O=Cc1ccc2c(O)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
CCR1 P32246 1/20 0.41
ERN1 O75460 4/20 0.40
ECE2 P0DPD6 2/20 0.40
HTR2B P41595 1/20 0.40
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
Formamide SCHEMBL9730999 0.82 CYP1A2 (0.37) ACHEERN1ECE2CYP1A2KDM4E
SCHEMBL9730993 0.79 EGFR (0.41) ACHEECE2CYP1A2KDM4ELMNA
SCHEMBL9071311 0.78 ERN1 (0.47) ERN1HTR2BCYP1A2KDM4EALDH1A1
SCHEMBL29952948 0.78 MAPT (0.47) CCR1ERN1CYP1A2KDM4EALDH1A1
SCHEMBL2170729 0.78 RAB9A (0.44) CCR1ERN1KDM4ELMNAALDH1A1
SCHEMBL29951387 0.78 ERN1 (0.47) ERN1HTR2BCYP1A2KDM4EALDH1A1
SCHEMBL4615123 0.74 ACHE (0.48) ACHECYP1A2KDM4ELMNAALDH1A1
SCHEMBL28449950 0.74 PDE10A (0.51) ERN1KDM4ELMNAALDH1A1MAPT
SCHEMBL4818968 0.73 ALDH1A1 (0.62) ERN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL29694379 0.72 KDM4E (0.64) CCR1CYP1A2KDM4ELMNAALDH1A1

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