SCHEMBL31318530

SCHEMBL31318530

COc1ccc(C(=O)N2CCSc3ccccc32)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.57
ALDH1A1 P00352 3/20 0.53
NOTUM Q6P988 1/20 0.52
MAPT P10636 5/20 0.52
THRB P10828 1/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL31318574 0.86 NOTUM (0.54) SHMT2NOTUMMAPTTHRBLMNA
SCHEMBL31318540 0.78 NOTUM (0.56) SHMT2NOTUMMAPTTHRBLMNA
SCHEMBL31058510 0.77 PDE4A (0.75) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7022539 0.77 AVPR1A (0.53) SHMT2ALDH1A1NOTUMMAPTTHRB
SCHEMBL31318527 0.77 NOTUM (0.54) SHMT2ALDH1A1NOTUMMAPTTHRB
SCHEMBL31318509 0.77 MAPT (0.56) SHMT2NOTUMMAPTTHRBLMNA
SCHEMBL31399227 0.76 PDE4A (0.60) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL31399210 0.76 PDE4A (0.60) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL7020943 0.76 AVPR1A (0.55) SHMT2ALDH1A1NOTUMMAPTTHRB
SCHEMBL7352710 0.74 NOTUM (0.60) SHMT2ALDH1A1NOTUMMAPTLMNA

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed