SCHEMBL1738347

SCHEMBL1738347

Cc1c(C)n(C)c2c(CNc3ccc(F)cc3)nccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 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 SCHEMBL1737585 0.99 RAB9A (0.39) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL1737369 0.85 RAB9A (0.38) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL1735325 0.85 GAA (0.38) RAB9ANPC1ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1736130 0.84 RAB9A (0.37) RAB9ANPC1ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1737751 0.84 GAA (0.38) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL1737079 0.83 KMT2A (0.36) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL1738965 0.83 MAPT (0.37) RAB9ANPC1ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1737482 0.82 KMT2A (0.35) RAB9ANPC1ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1735331 0.82 MAPT (0.36) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL1735560 0.81 KMT2A (0.37) RAB9ANPC1ALDH1A1KMT2AKDM4E

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