SCHEMBL1737225

SCHEMBL1737225

Cc1c(C)n(Cc2ccccc2F)c2c(COc3ccc(Cl)cc3)nccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 5/20 0.38
PPARG P37231 1/20 0.38
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 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 SCHEMBL1737673 0.99 TP53 (0.44) TP53TDP1RECQLMAPTPPARG
SCHEMBL1737378 0.92 NPC1 (0.39) TP53TDP1RECQLMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1736376 0.91 SMN1; SMN2 (0.39) TP53TDP1RECQLMAPTSMN1; SMN2
SCHEMBL1735942 0.87 DYRK1A (0.47) TP53TDP1RECQLMAPTADAMTS5
Hydrochloric Acid SCHEMBL1736539 0.86 DYRK1A (0.47) TP53TDP1RECQLMAPTADAMTS5
SCHEMBL1738711 0.84 MAPT (0.41) TP53MAPTPPARGADAMTS5KDM4E
Hydrochloric Acid SCHEMBL1736702 0.83 MAPT (0.40) TP53MAPTPPARGADAMTS5DYRK1A
SCHEMBL1736377 0.83 MAPT (0.41) TP53MAPTADAMTS5KDM4EDYRK1A
SCHEMBL1737387 0.83 MAPT (0.41) TP53MAPTADAMTS5KDM4EDYRK1A
SCHEMBL1737349 0.82 DYRK1A (0.38) TP53TDP1MAPTSMN1; SMN2NPC1

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