SCHEMBL1738313

SCHEMBL1738313

Cc1c(C)n(Cc2cccc(Cl)c2)c2c(N3CCc4ccccc4C3)nc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR6 P50406 7/20 0.37
MAOB P27338 7/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36

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 SCHEMBL1736884 0.99 MAPT (0.44) MAPTALDH1A1HPGDGAATP53
SCHEMBL1737996 0.93 ALDH1A1 (0.41) MAPTALDH1A1HPGDGAATP53
SCHEMBL1738725 0.92 MAPT (0.38) MAPTALDH1A1HPGDGAATP53
Hydrochloric Acid SCHEMBL1736146 0.92 ALDH1A1 (0.41) MAPTALDH1A1HPGDGAATP53
Hydrochloric Acid SCHEMBL1736624 0.91 MAPT (0.38) MAPTALDH1A1HPGDGAATP53
SCHEMBL1739557 0.89 MAPT (0.44) MAPTALDH1A1HPGDGAATP53
Hydrochloric Acid SCHEMBL1735782 0.88 MAPT (0.44) MAPTALDH1A1HPGDGAATP53
SCHEMBL1735595 0.87 MAPT (0.37) MAPTALDH1A1HPGDGAATP53
SCHEMBL1737511 0.87 ALDH1A1 (0.44) MAPTALDH1A1HPGDGAATP53
SCHEMBL1736918 0.87 ALDH1A1 (0.42) MAPTALDH1A1HPGDGAATP53

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