SCHEMBL1738301

SCHEMBL1738301

CC(C)=CCn1c(C)c(C)c2ccnc(COc3ccc(F)cc3F)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TRPA1 O75762 4/20 0.34
NPC1 O15118 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
HASPIN Q8TF76 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 SCHEMBL1737633 0.99 RAB9A (0.35) RAB9AFFAR1ALDH1A1MEN1KMT2A
SCHEMBL1737057 0.88 FFAR1 (0.36) RAB9AFFAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1737686 0.87 FFAR1 (0.36) RAB9AFFAR1ALDH1A1MEN1KMT2A
SCHEMBL1738162 0.85 MAOB (0.34) RAB9AFFAR1ALDH1A1MEN1KMT2A
SCHEMBL1737252 0.85 RAB9A (0.39) RAB9AFFAR1ALDH1A1MEN1KMT2A
SCHEMBL1737515 0.84 L3MBTL1 (0.35) RAB9AALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL1736497 0.84 MAOB (0.33) RAB9AFFAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1736956 0.84 RAB9A (0.38) RAB9AFFAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1738452 0.84 L3MBTL1 (0.34) RAB9AALDH1A1MEN1KMT2APOLB
SCHEMBL1736996 0.83 RAB9A (0.38) RAB9AFFAR1ALDH1A1MEN1KMT2A

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