SCHEMBL29952858

SCHEMBL29952858

O=Cc1ccccc1C=Cc1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34
TSHR P16473 1/20 0.34
CYP2A6 P11509 1/20 0.33
IMPDH2 P12268 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NR1H2 P55055 1/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL2559134 1.00 KMT2A (0.45) KMT2AMEN1LMNATHRBBLM
SCHEMBL2559133 1.00 KMT2A (0.45) KMT2AMEN1LMNATHRBBLM
SCHEMBL15332086 0.75 CYP2A6 (0.34) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL15332090 0.75 CYP2A6 (0.34) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL11208205 0.75 HDAC4 (0.37) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL8450486 0.74 NPC1 (0.64) KMT2AMEN1LMNATHRBBLM
SCHEMBL26704623 0.74 MEN1 (0.52) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL28010180 0.74 MEN1 (0.52) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL15331249 0.73 ALDH1A1 (0.38) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL15331247 0.73 ALDH1A1 (0.38) KMT2AMEN1TDP1ALDH1A1HPGD

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