SCHEMBL31418694

SCHEMBL31418694

[2H]c1cc(C=CC(=O)O)cc2c1[nH]c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.48
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45
▸ HDAC5 Q9UQL6 2/20 0.45
▸ TNKS O95271 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 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
SCHEMBL22804962 0.88 KIF11 (0.61) KIF11HDAC1HDAC3HDAC4HDAC7
SCHEMBL31418696 0.84 KIF11 (0.45) KIF11HDAC1HDAC3HDAC6KMT2A
SCHEMBL12425753 0.73 HDAC1 (0.61) KIF11HDAC1HDAC3HDAC4HDAC7
SCHEMBL30440640 0.72 KIF11 (0.55) KIF11KMT2AMEN1LMNAMAPT
SCHEMBL12408499 0.72 KIF11 (0.55) KIF11KMT2AMEN1LMNAMAPT
SCHEMBL1071505 0.72 KIF11 (0.55) KIF11KMT2AMEN1LMNAMAPT
SCHEMBL10855311 0.72 GABRP (0.59) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL28217117 0.71 KIF11 (0.66) KIF11KMT2AMEN1LMNAMAPT
SCHEMBL27386818 0.70 MEN1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22203071 0.70 KIF11 (0.55) KIF11HDAC1KMT2AMEN1LMNA

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-2025042899-A2 METHODS FOR IDENTIFYING COMPOUNDS BINDING TO A TARGET MOLECULE USING MIRROR-IMAGING OF THE TARGET MOLECULE X-CHEM, INC. (US) 2025-02-27 — — WO disclosed
Send feedback