SCHEMBL1737110

SCHEMBL1737110

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOB P27338 2/20 0.33
GRM5 P41594 5/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MAOA P21397 2/20 0.32
LMNA P02545 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 SCHEMBL1737662 0.99 NPC1 (0.38) NPC1RAB9AMAPTTDP1POLB
SCHEMBL1738162 0.86 MAOB (0.34) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL1737253 0.85 DYRK1A (0.38) NPC1RAB9AMAPTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736497 0.85 MAOB (0.33) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL1739316 0.84 MAOA (0.34) NPC1RAB9AMAPTTDP1POLB
SCHEMBL1737057 0.84 FFAR1 (0.36) NPC1RAB9APOLBL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL1736373 0.84 DYRK1A (0.38) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL5810999 0.84 TRPA1 (0.39) NPC1RAB9AMAPTTDP1CYP1A2
Hydrochloric Acid SCHEMBL1736177 0.84 DYRK1A (0.34) NPC1RAB9AMAPTTDP1POLB
Hydrochloric Acid SCHEMBL1737686 0.84 FFAR1 (0.36) NPC1RAB9APOLBL3MBTL1ALDH1A1

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 6 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
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed