SCHEMBL29951202

SCHEMBL29951202

O=Cc1ccc(F)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2A6 P11509 2/20 0.41
IMPDH2 P12268 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
IDO1 P14902 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL485577 1.00 ERN1 (0.47) ERN1MEN1KMT2ALMNATHRB
Hydrochloric Acid SCHEMBL28960226 0.98 ERN1 (0.45) ERN1MEN1KMT2ALMNATHRB
SCHEMBL9671258 0.86 ERN1 (0.57) ERN1MEN1KMT2ALMNATHRB
SCHEMBL12143561 0.86 ERN1 (0.57) ERN1MEN1KMT2ALMNATHRB
SCHEMBL982388 0.85 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL29786760 0.85 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL6757215 0.77 ALDH1A1 (0.38) LMNAALDH1A1HTTKDM4ENPSR1
SCHEMBL13747587 0.77 NFE2L2 (0.36) LMNAALDH1A1HTTKDM4ENPSR1
SCHEMBL31596866 0.77 ALDH1A1 (0.38) LMNAALDH1A1HTTKDM4ENPSR1
SCHEMBL6562728 0.77 HPRT1 (0.46) LMNATDP1CYP2A6ALDH1A1HTT

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