SCHEMBL1739295

SCHEMBL1739295

CCn1c(C)c(C)c2ccnc(COc3ccc(C)cc3)c21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
DYRK1A Q13627 1/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HASPIN Q8TF76 1/20 0.34
KCNH2 Q12809 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 SCHEMBL1737677 0.99 RAB9A (0.44) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1737253 0.91 DYRK1A (0.38) RAB9ANPC1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL1736373 0.90 DYRK1A (0.38) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1737349 0.90 DYRK1A (0.38) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1737044 0.90 DYRK1A (0.41) RAB9ANPC1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL1737392 0.89 DYRK1A (0.37) RAB9ANPC1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL1736072 0.89 DYRK1A (0.40) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1737594 0.87 HRH3 (0.41) RAB9ANPC1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL1735552 0.86 HRH3 (0.40) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1737062 0.85 RAB9A (0.49) RAB9ANPC1MAPTKMT2AMEN1

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