SCHEMBL1736200

SCHEMBL1736200

COCCn1c(C)c(C)c2ccnc(COc3ccc(Cl)c(Cl)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CNR2 P34972 1/20 0.36
EGFR P00533 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
DYRK1A Q13627 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HASPIN Q8TF76 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32

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 SCHEMBL1736557 0.99 KMT2A (0.35) TSHRRAB9AKMT2ANPC1TP53
SCHEMBL1736127 0.89 DYRK1A (0.40) RAB9AKMT2ANPC1TP53KDM4E
Hydrochloric Acid SCHEMBL1736588 0.88 DYRK1A (0.39) RAB9AKMT2ANPC1TP53KDM4E
SCHEMBL1737474 0.87 DYRK1A (0.38) RAB9AKMT2ANPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1737703 0.86 DYRK1A (0.37) RAB9AKMT2ANPC1KDM4EALDH1A1
SCHEMBL1737062 0.85 RAB9A (0.49) TSHRRAB9AKMT2ANPC1TP53
Hydrochloric Acid SCHEMBL1736429 0.84 RAB9A (0.48) TSHRRAB9AKMT2ANPC1TP53
SCHEMBL1739067 0.84 RAB9A (0.41) TSHRRAB9AKMT2ANPC1TP53
SCHEMBL1737540 0.84 PTGDR2 (0.38) RAB9AKMT2ANPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1736057 0.84 RAB9A (0.40) TSHRRAB9AKMT2ANPC1TP53

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