SCHEMBL1738539

SCHEMBL1738539

C=CCn1c(C)c(C)c2ccnc(-c3ccc(Cl)cc3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
CYP2D6 P10635 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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 SCHEMBL1736403 0.99 ALDH1A1 (0.40) ALDH1A1HPGDIDO1TDO2KDM4E
SCHEMBL1735921 0.90 NPSR1 (0.41) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736632 0.89 NPSR1 (0.40) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL1737486 0.88 CACNA1B (0.34) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL1739802 0.88 MAPT (0.42) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL1738045 0.87 L3MBTL1 (0.40) ALDH1A1HPGDTDO2KDM4ECYP1A2
Hydrochloric Acid SCHEMBL1735611 0.86 MAPT (0.41) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736147 0.86 CACNA1B (0.34) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736672 0.86 L3MBTL1 (0.39) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL1738553 0.85 KDM4E (0.46) ALDH1A1HPGDKDM4EGAATDP1

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