SCHEMBL31057900

SCHEMBL31057900

COc1ccc(-n2ccn(CC(=O)NCC(=O)O)c2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL31057789 0.88 RXFP1 (0.46) MAPTRXFP1TP53POLBHPGD
SCHEMBL31057922 0.78 FPR2 (0.38) MAPTTP53POLBLMNA
SCHEMBL28567459 0.65 TDP1 (0.57) MAPTPOLBHPGDTDP1GAA
SCHEMBL23121351 0.62 ATM (0.41) MAPTHPGDTDP1KMT2ATHRB
SCHEMBL31057944 0.62 CRHR1 (0.41) MAPTPOLBTDP1GAAKMT2A
SCHEMBL20595817 0.62 KDM4E (0.42) MAPTKMT2AHIF1ALMNARAB9A
SCHEMBL31057912 0.62 SHMT1 (0.74) HPGDGAA
SCHEMBL10587711 0.62 PTGS1 (0.70) MAPTTP53POLBHPGDKMT2A
SCHEMBL24064509 0.61 ALDH1A1 (0.68) MAPTPOLBTDP1LMNARAB9A
SCHEMBL23631652 0.61 KMO (0.62) POLBHPGDKMT2A

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-2024173718-A2 HETEROBIFUNCTIONAL BINDERS OF KLHDC2 ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2024-08-22 — — WO disclosed
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