SCHEMBL1738873

SCHEMBL1738873

COCCn1c(C)c(C)c2ccnc(-c3ccc(SC)cc3)c21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK14 Q16539 16/20 0.36
MAPK10 P53779 1/20 0.36
PIM1 P11309 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL1735404 0.99 MEN1 (0.42) MEN1KMT2AMAPK14MAPK10PIM1
SCHEMBL1736932 0.88 KMT2A (0.39) MEN1KMT2ANPC1NR2F2RAB9A
Hydrochloric Acid SCHEMBL1736659 0.87 KMT2A (0.38) MEN1KMT2ANPC1NR2F2RAB9A
SCHEMBL1738547 0.86 ALDH1A1 (0.43) MEN1KMT2AMAPK14ALOX15
SCHEMBL1738099 0.86 ALOX15 (0.47) MEN1KMT2ANPC1RAB9AALOX15
SCHEMBL1737010 0.86 CYP1A2 (0.43) MEN1KMT2AMAPK14MAPK10
SCHEMBL1739162 0.85 ALDH1A1 (0.44) MEN1KMT2ANPC1NR2F2RAB9A
Hydrochloric Acid SCHEMBL1737896 0.85 CYP1A2 (0.43) MEN1KMT2AMAPK14MAPK10
Hydrochloric Acid SCHEMBL1737922 0.85 ALDH1A1 (0.43) MEN1KMT2AMAPK14ALOX15
Hydrochloric Acid SCHEMBL1736625 0.85 ALOX15 (0.46) MEN1KMT2ARAB9AALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed