SCHEMBL1736996

SCHEMBL1736996

CCCn1c(C)c(C)c2ccnc(COc3ccc(F)cc3F)c21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
FFAR1 O14842 1/20 0.38
HASPIN Q8TF76 1/20 0.36
TRPA1 O75762 5/20 0.36
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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 SCHEMBL1737972 0.99 RAB9A (0.37) RAB9AFFAR1HASPINTRPA1DYRK1A
SCHEMBL1737252 0.91 RAB9A (0.39) RAB9AFFAR1HASPINTRPA1ALDH1A1
Hydrochloric Acid SCHEMBL1736956 0.90 RAB9A (0.38) RAB9AFFAR1HASPINTRPA1ALDH1A1
SCHEMBL1737361 0.89 FFAR1 (0.36) RAB9AFFAR1HASPINTRPA1ALDH1A1
Hydrochloric Acid SCHEMBL1736103 0.88 FFAR1 (0.36) RAB9AFFAR1HASPINTRPA1ALDH1A1
SCHEMBL1735910 0.86 FFAR1 (0.40) RAB9AFFAR1HASPINTRPA1ALDH1A1
SCHEMBL1736802 0.86 L3MBTL1 (0.39) RAB9AFFAR1TRPA1KMT2AMEN1
Hydrochloric Acid SCHEMBL1735320 0.85 FFAR1 (0.39) RAB9AFFAR1HASPINTRPA1ALDH1A1
Hydrochloric Acid SCHEMBL1736139 0.85 L3MBTL1 (0.38) RAB9AFFAR1TRPA1KMT2AMEN1
SCHEMBL1737057 0.85 FFAR1 (0.36) RAB9AFFAR1HASPINTRPA1ALDH1A1

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