SCHEMBL29957006

SCHEMBL29957006

O=Cc1ccc(F)cc1C=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN1 P18031 1/20 0.44
NFE2L2 Q16236 4/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39

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
SCHEMBL4363014 1.00 ERN1 (0.46) ERN1TDP1MEN1LMNATHRB
Water SCHEMBL28915146 0.97 ERN1 (0.45) ERN1TDP1MEN1LMNATHRB
SCHEMBL17006121 0.86 ERN1 (0.41) ERN1TDP1MEN1LMNATHRB
SCHEMBL1694767 0.83 ALDH1A1 (0.50) ERN1MEN1LMNAKMT2AKDM4E
SCHEMBL19920245 0.83 KDM4E (0.42) ERN1KDM4EALDH1A1PTPN1NFE2L2
SCHEMBL96915 0.82 NFE2L2 (0.54) ERN1KDM4EALDH1A1PTPN1NFE2L2
SCHEMBL29824365 0.82 NFE2L2 (0.54) ERN1KDM4EALDH1A1PTPN1NFE2L2
SCHEMBL18181691 0.82 KDM4E (0.44) ERN1TDP1MEN1LMNATHRB
SCHEMBL65723 0.82 ERN1 (0.56) ERN1KDM4EALDH1A1PTPN1NFE2L2
SCHEMBL24014740 0.78 ERN1 (0.42) ERN1TDP1MEN1LMNATHRB

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