SCHEMBL25756627

SCHEMBL25756627

CCc1cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
POLB P06746 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOB P27338 1/20 0.34
MAPK8 P45983 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL17689338 0.84 HDAC3 (0.38) TLR7LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL22259933 0.83 KDM4E (0.40) CA2POLBTLR7KDM4EMAOB
SCHEMBL10127277 0.81 MAOB (0.39) CA1CA2MRGPRX4LMNAKDM4E
SCHEMBL10126516 0.81 LMNA (0.36) CA1CA2MRGPRX4TLR7LMNA
SCHEMBL178236 0.81 ACP1 (0.38) CA1CA2MRGPRX4LMNAL3MBTL1
SCHEMBL21524633 0.81 CYP2D6 (0.41) CA1CA2MRGPRX4TLR7LMNA
SCHEMBL22328739 0.81 HPGD (0.37) POLBLMNAMAPK8ALDH1A1HPGD
SCHEMBL19976528 0.80 PDE5A (0.42) POLBLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL15580854 0.79 TP53 (0.37) TP53POLBTLR7LMNAKDM4E
SCHEMBL178271 0.78 LMNA (0.57) CA1CA2POLBLMNAALDH1A1

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