SCHEMBL1737252

SCHEMBL1737252

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
FFAR1 O14842 1/20 0.39
TRPA1 O75762 6/20 0.38
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HASPIN Q8TF76 1/20 0.35
LMNA P02545 1/20 0.35

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 SCHEMBL1736956 0.99 RAB9A (0.38) RAB9AFFAR1TRPA1NPC1POLB
SCHEMBL1736996 0.91 RAB9A (0.38) RAB9AFFAR1TRPA1NPC1POLB
Hydrochloric Acid SCHEMBL1737972 0.90 RAB9A (0.37) RAB9AFFAR1TRPA1NPC1POLB
SCHEMBL1736802 0.88 L3MBTL1 (0.39) RAB9AFFAR1TRPA1KMT2AMEN1
SCHEMBL1737057 0.87 FFAR1 (0.36) RAB9AFFAR1TRPA1NPC1POLB
SCHEMBL1737361 0.87 FFAR1 (0.36) RAB9AFFAR1TRPA1POLBKMT2A
Hydrochloric Acid SCHEMBL1736139 0.87 L3MBTL1 (0.38) RAB9AFFAR1TRPA1KMT2AMEN1
Hydrochloric Acid SCHEMBL1736103 0.86 FFAR1 (0.36) RAB9AFFAR1TRPA1POLBKMT2A
SCHEMBL1737090 0.86 RAB9A (0.39) RAB9AFFAR1NPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL1737686 0.86 FFAR1 (0.36) RAB9AFFAR1TRPA1NPC1POLB

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