SCHEMBL31445374

SCHEMBL31445374

Cc1ncncc1C1(C(=O)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31
AKR1C1 Q04828 1/20 0.31
HPGD P15428 1/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL31447288 0.79 HCAR2 (0.31) HCAR2AKR1C1SPR
SCHEMBL31446734 0.76 VNN1 (0.36) ABL1AKR1C1
SCHEMBL31446277 0.76
SCHEMBL31446571 0.74 AKR1C1 (0.34) LMNAPKMAKR1C1
SCHEMBL31444975 0.73 AGBL2 (0.41) ABL1HCAR2AKR1C1SPR
SCHEMBL18286269 0.70 AKR1C1 (0.45) HCAR2AKR1C1
SCHEMBL31446426 0.69 PDE4A (0.32) HCAR2AKR1C1SPR
SCHEMBL30981563 0.68 BRAF (0.30) AKR1C1
SCHEMBL21585398 0.67 RAB9A (0.36) LMNAPKMHCAR2AKR1C1
SCHEMBL31446209 0.67 AKR1C1 (0.34) LMNAPKMAKR1C1HPGD

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed