SCHEMBL29952242

SCHEMBL29952242

OB(O)c1ccc2nccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.55
TTR P02766 3/20 0.45
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL856485 1.00 ENPP2 (0.55) ENPP2TTRCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL994032 0.98 ENPP2 (0.53) ENPP2TTRCA2CA1ALDH1A1
SCHEMBL14421550 0.81 KMT2A (0.37) ENPP2ALDH1A1MAPTHPGDMEN1
SCHEMBL12419218 0.77 KMT2A (0.39) ENPP2ALDH1A1MAPTHPGDMEN1
SCHEMBL360458 0.75 NPC1 (0.57) ENPP2CA2CA1ALDH1A1MAPT
SCHEMBL3719246 0.75 ALDH1A1 (0.39) ENPP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL317300 0.75 ALDH1A1 (0.58) ENPP2CA2CA1ALDH1A1MAPT
SCHEMBL29952779 0.75 NPC1 (0.57) ENPP2CA2CA1ALDH1A1MAPT
SCHEMBL29953773 0.74 ENPP2 (0.43) ENPP2TTRCA2CA1MAPT
Hydrochloric Acid SCHEMBL12506154 0.74 ALDH1A1 (0.56) ENPP2CA2CA1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed