SCHEMBL1737072

SCHEMBL1737072

CC(C)=CCn1c(C)c(C)c2ccnc(COc3ccc(Cl)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TP53 P04637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
PRMT5 O14744 1/20 0.31
PTPN11 Q06124 1/20 0.31
DYRK1A Q13627 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 SCHEMBL1736258 0.99 MAOB (0.33) MAOAMAOBTP53KDM4EALOX15
SCHEMBL1738032 0.91 LMNA (0.34) MAOBTP53TSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL1736607 0.90 LMNA (0.34) MAOBTP53TSHRNPC1RAB9A
SCHEMBL1738162 0.90 MAOB (0.34) MAOAMAOBTSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL1736497 0.89 MAOB (0.33) MAOAMAOBTSHRNPC1RAB9A
SCHEMBL1736203 0.89 PTGDR2 (0.35) KDM4ETDP1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL1736471 0.88 PTGDR2 (0.35) KDM4ETDP1L3MBTL1RAB9AMAPT
SCHEMBL1737349 0.84 DYRK1A (0.38) MAOAMAOBTP53KDM4EALOX15
SCHEMBL1737375 0.83 KDM4E (0.39) TP53KDM4EALOX15TDP1NPC1
Hydrochloric Acid SCHEMBL1737392 0.83 DYRK1A (0.37) MAOAMAOBTP53KDM4EALOX15

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