SCHEMBL1737532

SCHEMBL1737532

Cc1c(C)n(CCC(C)C)c2c(-c3ccc(Cl)cc3)nccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CACNA1B Q00975 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAPT P10636 2/20 0.34
ADRA2A P08913 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 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 SCHEMBL1736647 0.99 TRPC5 (0.36) TRPC5ALDH1A1TSHRKDM4ECACNA1B
SCHEMBL1739158 0.90 MCL1 (0.35) ALDH1A1TSHRKDM4ECACNA1BMAPT
Hydrochloric Acid SCHEMBL1736609 0.89 MCL1 (0.34) ALDH1A1TSHRKDM4ECACNA1BMAPT
SCHEMBL1738350 0.89 CACNA1B (0.39) ALDH1A1KDM4ECACNA1BIDO1TDO2
SCHEMBL1738848 0.88 TGFBR1 (0.36) ALDH1A1TSHRKDM4ECACNA1BMAPT
Hydrochloric Acid SCHEMBL1736853 0.88 CACNA1B (0.39) ALDH1A1KDM4ECACNA1BIDO1TDO2
Hydrochloric Acid SCHEMBL1737719 0.87 TGFBR1 (0.36) ALDH1A1TSHRKDM4ECACNA1BMAPT
SCHEMBL1737676 0.86 ALDH1A1 (0.39) ALDH1A1IDO1TDO2MEN1KMT2A
SCHEMBL1736958 0.86 DYRK1A (0.39) ALDH1A1KDM4ECACNA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL1736650 0.85 ALDH1A1 (0.38) ALDH1A1IDO1TDO2MEN1KMT2A

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