SCHEMBL1738340

SCHEMBL1738340

Cc1c(CO)c2cc(C(=O)N3CCNCC3)nc(N3CCc4ccccc4C3)c2n1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
SOS1 Q07889 1/20 0.35
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
HTR6 P50406 2/20 0.35
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34

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 SCHEMBL1736611 0.99 CHEK1 (0.35) CHEK1SOS1ALDH1A1NPSR1LMNA
SCHEMBL1739981 0.92 ALDH1A1 (0.37) ALDH1A1NPSR1LMNATSHRHSD17B10
Hydrochloric Acid SCHEMBL1738178 0.91 ALDH1A1 (0.36) ALDH1A1NPSR1LMNATSHRHSD17B10
SCHEMBL1737687 0.91 MEN1 (0.40) CHEK1SOS1ALDH1A1NPSR1LMNA
SCHEMBL1737862 0.91 RECQL (0.34) CHEK1SOS1ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL1737203 0.90 MEN1 (0.39) CHEK1SOS1ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL1738926 0.90 RECQL (0.34) CHEK1SOS1ALDH1A1NPSR1LMNA
SCHEMBL1738117 0.88 ALDH1A1 (0.38) ALDH1A1NPSR1LMNATSHRHSD17B10
SCHEMBL1737169 0.88 MEN1 (0.38) CHEK1ALDH1A1NPSR1LMNAHSD17B10
Hydrochloric Acid SCHEMBL1737186 0.88 MEN1 (0.37) CHEK1ALDH1A1NPSR1LMNAHSD17B10

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