SCHEMBL8553503

SCHEMBL8553503

O=C(c1ccccc1)c1ncsn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
SRD5A2 P31213 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
HPGDS O60760 1/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL31551134 0.73 AKR1C2 (0.41) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL2890937 0.73 KMT2A (0.63) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL28489651 0.72 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1TDP1L3MBTL1
Benzophenone SCHEMBL28154310 0.71 ALDH1A1 (0.93) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL134274 0.70 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL11064770 0.69 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL3084598 0.69
Benzophenone SCHEMBL30536983 0.68 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TDP1L3MBTL1
Benzophenone SCHEMBL6061130 0.68 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TDP1L3MBTL1
Benzophenone SCHEMBL30537001 0.68 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed