SCHEMBL29957028

SCHEMBL29957028

O=Cc1cccnc1NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
FABP1 P07148 1/20 0.49
FABP6 P51161 1/20 0.49
BACE1 P56817 1/20 0.47
PSMB1 P20618 1/20 0.44
HIF1A Q16665 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL27787171 0.86 KDM4E (0.51) EGFRKMT2AHSD17B10KDRHPGD
SCHEMBL15530810 0.84 MAPT (0.58) EGFRHIF1AUTS2RRAB9AMEN1
SCHEMBL28085556 0.83 NPC1 (0.62) EGFRHIF1ANR2F2MEN1NPC1
SCHEMBL11085488 0.80 FFAR1 (0.41) RAB9AMEN1NPC1KMT2AHSD17B10
SCHEMBL4725432 0.80 EGFR (0.47) EGFRFABP1FABP6BACE1PSMB1
SCHEMBL4780744 0.80 EGFR (0.47) EGFRFABP1FABP6BACE1HIF1A
SCHEMBL27874525 0.79 MEN1 (0.47) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL23426225 0.78 TRIM24 (0.47) UTS2RTRIM24TRIM33RAB9AMEN1
SCHEMBL14291447 0.78 EGFR (0.45) EGFRFABP1FABP6BACE1PSMB1
SCHEMBL22625722 0.77 CASP6 (0.43) HIF1ATRIM24TRIM33MEN1KMT2A

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