SCHEMBL31318540

SCHEMBL31318540

COc1c(Br)cc(C(=O)N2CCSc3ccccc32)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
SHMT2 P34897 1/20 0.52
MAPT P10636 4/20 0.49
THRB P10828 1/20 0.49
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46

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 0.87 NOTUM (0.54) NOTUMSHMT2MAPTTHRBTP53
SCHEMBL31318527 0.87 NOTUM (0.54) NOTUMSHMT2MAPTTHRBTP53
SCHEMBL31318509 0.87 MAPT (0.56) NOTUMSHMT2MAPTTHRBTP53
SCHEMBL31318499 0.86 TUBB4A (0.47) NOTUMSHMT2MAPTTHRBTP53
SCHEMBL31318502 0.79 TUBB4A (0.51) NOTUMSHMT2MAPTTHRBTP53
SCHEMBL31318568 0.79 LMNA (0.42) THRBLMNATUBB4ATUBBTUBA3C
SCHEMBL31318530 0.78 SHMT2 (0.57) NOTUMSHMT2MAPTTHRBTP53
SCHEMBL4900134 0.76 NOTUM (0.56) NOTUMMAPTTHRBTP53LMNA
SCHEMBL10323593 0.74 SLC22A12 (0.50) NOTUMSHMT2MAPTTHRBLMNA
SCHEMBL10324036 0.74 SLC22A12 (0.47) NOTUMSHMT2MAPTTHRBLMNA

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