Sugi Predict

Sugi Predict / Compounds / SCHEMBL25756496

SCHEMBL25756496

SCHEMBL25756496

CC1=CN(CCCS(=O)(=O)O)c2c(cc(-c3cc(C(=O)NCCCCCC(=O)O)nc(C(=O)NCCS(=O)(=O)O)c3)c3sccc23)C1(C)CCCS(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ HDAC9 Q9UKV0 1/20 0.30
▸ HDAC5 Q9UQL6 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL15390407 0.84 LMNA (0.32) PTGS1EPHX2PTGS2LMNA
SCHEMBL17689348 0.82 LMNA (0.30) LMNA
SCHEMBL17689365 0.81 — —
SCHEMBL17689377 0.81 PTGS1 (0.32) PTGS1EPHX2PTGS2LMNA
SCHEMBL15392586 0.79 — —
SCHEMBL17689362 0.79 BRD4 (0.32) —
SCHEMBL17689376 0.79 BRD4 (0.32) —
SCHEMBL15522297 0.78 — —
SCHEMBL22328749 0.78 BRD4 (0.31) —
SCHEMBL25756431 0.78 — —

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
EP-2850086-B1 HETEROARYLCYANINE DYES PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2023-07-05 — — EP disclosed