SCHEMBL31377997

SCHEMBL31377997

O=C(O)C1CN(C(=O)O)c2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
LIPG Q9Y5X9 1/20 0.36
MAPK1 P28482 1/20 0.36
PARK7 Q99497 2/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL30545928 0.88 KDM4E (0.39) NOTUMLIPGCNR2NPC1ALDH1A1
SCHEMBL31378007 0.77 NOTUM (0.51) NOTUMALDH1A1POLB
SCHEMBL2850031 0.71 MAPT (0.38) NOTUMALDH1A1HTTPOLB
SCHEMBL12827599 0.70 GPR183 (0.46) ALDH1A1HTTPOLB
SCHEMBL26817417 0.69 NOTUM (0.62) NOTUMMAPK1NPC1ALDH1A1HTT
SCHEMBL24729541 0.68 PDE4B (0.39)
SCHEMBL29801176 0.68 PDE4B (0.39)
SCHEMBL19926708 0.68 ACHE (0.39) ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL15664383 0.68 DPP4 (0.38) NOTUMLIPG
SCHEMBL26130366 0.68 BRD4 (0.48) NOTUMMAPK1

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
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed