SCHEMBL4455543

SCHEMBL4455543

O=C(c1ccccc1)c1csc(S)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HPGDS O60760 2/20 0.42
CA2 P00918 1/20 0.41
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRD5A2 P31213 1/20 0.39
POLB P06746 1/20 0.39
SCD O00767 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL4455537 0.84 KMT2A (0.52) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL1669181 0.80 KMT2A (0.52) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL3829101 0.79 KMT2A (0.50) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL13475954 0.79 TLR7 (0.53) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL1683594 0.77 HDAC1 (0.64) KMT2AALDH1A1MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL27594585 0.77 KMT2A (0.49) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL1437777 0.77
SCHEMBL10052157 0.75 TLR7 (0.56) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL6319437 0.72 KMT2A (0.44) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL11707443 0.71 ALDH1A1 (0.45) KMT2ACNR2ALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494611-B2 Cellulose ester film, cellulose ester dope, protective film of polarizing plate and polarizing plate KONICA CORPORATION (JP) 2009-02-24 US disclosed
US-20060029750-A1 Cellulose ester film, cellulose ester dope, protective film of polarizing plate and polarizing plate KONICA CORPORATION 2006-02-09 US disclosed
US-6974608-B2 Cellulose ester film, cellulose ester dope, protective film of polarizing plate and polarizing plate KONICA CORPORATION (JP) 2005-12-13 US disclosed
US-20020102369-A1 Cellulose ester film, cellulose ester dope, protective film of polarizing plate and polarizing plate KONICA CORPORATION. 2002-08-01 US disclosed