SCHEMBL16387341

SCHEMBL16387341

CSCCOC(=O)c1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ PRSS1 P07477 3/20 0.42
▸ PRSS2 P07478 2/20 0.42
▸ PRSS3 P35030 2/20 0.42
▸ TSHR P16473 3/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ CYP51A1 Q16850 1/20 0.39
▸ NOS1 P29475 3/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39

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
SCHEMBL31734109 0.86 TP53 (0.46) SCN1ASCN2ASCN3APRSS1PRSS2
SCHEMBL15959416 0.82 TSHR (0.47) SCN1ASCN2ASCN3APRSS1PRSS2
SCHEMBL28504064 0.81 MAPT (0.56) SCN1ASCN2ASCN3APRSS1ESR1
SCHEMBL28522319 0.81 ESR1 (0.62) TSHRESR1ALDH1A1PTGS2LMNA
SCHEMBL16387338 0.80 CYP51A1 (0.42) SCN1ASCN2ASCN3APRSS1PRSS2
SCHEMBL25414840 0.79 PHLPP2 (0.61) SCN1ASCN2ASCN3ATSHRALDH1A1
SCHEMBL13942924 0.79 BCHE (0.45) SCN1ASCN2ASCN3APRSS1PRSS2
SCHEMBL17816425 0.79 TSHR (0.45) SCN1ASCN2ASCN3APRSS1PRSS2
SCHEMBL28811175 0.79 PRSS1 (0.47) SCN1ASCN2ASCN3APRSS1PRSS2
SCHEMBL31734105 0.78 MAPK1 (0.56) SCN1ASCN2ASCN3APRSS1PRSS2

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
US-8933273-B2 Borate moiety-contained linker and bio-sensing element containing the same NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-01-13 — — US disclosed
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