SCHEMBL8666048

SCHEMBL8666048

[O-][N+](=S)[CH]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ G6PD P11413 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 3/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL22181 0.74 FBP1 (0.60) FBP1ALDH1A1PRMT1CYP2A6NFE2L2
SCHEMBL10448311 0.63 G6PD (0.47) FBP1NPC1RAB9AALDH1A1G6PD
SCHEMBL18040865 0.63 G6PD (0.47) FBP1NPC1RAB9AALDH1A1G6PD
SCHEMBL22575907 0.63 G6PD (0.47) FBP1NPC1RAB9AALDH1A1G6PD
SCHEMBL6045147 0.63 G6PD (0.47) FBP1NPC1RAB9AALDH1A1G6PD
SCHEMBL1404289 0.63 G6PD (0.47) FBP1NPC1RAB9AALDH1A1G6PD
SCHEMBL1899544 0.63 — —
SCHEMBL264277 0.62 ALDH1A1 (0.73) FBP1NPC1RAB9AALDH1A1G6PD
SCHEMBL14617615 0.62 G6PD (0.45) FBP1NPC1RAB9AALDH1A1G6PD
SCHEMBL8164 0.61 — —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849878-A Design and synthesis of bispecific reagents: use of double stranded DNAs as chemically and spatially defined cross-linkers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-15 — — US disclosed
US-5635602-A PROTEINS(ANTIGENS OR ANTIBODIES) CROSSLINKED BY COVALENT BINDING TO EACH END OF A DERIVATIZED DOUBLE-STRANDED DNA MOLECULE, FOR IMMUNOASSAYS, POLYMERASE CHAIN REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-06-03 — — US disclosed
WO-1995005399-A1 DESIGN AND SYNTHESIS OF BISPECIFIC REAGENTS: USE OF DOUBLE-STRANDED DNAS AS CHEMICALLY AND SPATIALLY DEFINED CROSS-LINKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-02-23 — — WO disclosed
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