SCHEMBL31079461

SCHEMBL31079461

COc1ccc(N2CCCCS2(=O)=O)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TP53 P04637 4/20 0.50
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LDHA P00338 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
OPRK1 P41145 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PDE4A P27815 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL25424710 1.00 POLB (0.55) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL25229814 0.96 TP53 (0.54) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL31038304 0.96 TP53 (0.54) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL25423218 0.89 POLB (0.54) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL25424713 0.87 MEN1 (0.42) POLBTP53LDHAMEN1KMT2A
SCHEMBL14686719 0.86 TP53 (0.51) POLBTP53LMNASMN1; SMN2PDE4A
SCHEMBL25276232 0.83 APEX1 (0.41) POLBTP53SMN1; SMN2MEN1KMT2A
SCHEMBL15668570 0.77 POLB (0.59) POLBTP53SMN1; SMN2CA1CA2
SCHEMBL22033300 0.76 POLB (0.48) POLBTP53CA1CA2CA6
SCHEMBL25423223 0.76 POLB (0.42) POLBTP53LMNASMN1; SMN2LDHA

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-118647606-A Benzothiophene derivatives as RXFP1 agonists 百时美施贵宝公司 2024-09-13 CN disclosed