SCHEMBL29950587

SCHEMBL29950587

O=Cc1cccn1C(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
SRC P12931 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
XIAP P98170 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL11556583 0.79 ATM (0.44) ATMGAACYP2D6TRIM24TRIM33
SCHEMBL23865359 0.76 TRIM24 (0.46) LMNAATMGAATRIM24TRIM33
SCHEMBL11555051 0.76 TRIM24 (0.46) LMNAATMGAATRIM24TRIM33
SCHEMBL29955694 0.74 CYP2D6 (0.44) LMNAGAACYP2D6SRCKDM4E
SCHEMBL11879956 0.73 TRIM24 (0.43) LMNAATMGAATRIM24TRIM33
SCHEMBL11554293 0.72 ATM (0.39) ATMTRIM24TRIM33SRCALDH1A1
SCHEMBL11876578 0.70 BCL2 (0.40) ATMTRIM24TRIM33HSD17B10
SCHEMBL11871896 0.69 TRIM24 (0.39) ATMTRIM24TRIM33ALDH1A1
SCHEMBL10505483 0.69 OPRM1 (0.40) ATMGAATRIM24TRIM33ALDH1A1
SCHEMBL11880901 0.69 TRIM24 (0.42) ATMGAATRIM24TRIM33ALDH1A1

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