SCHEMBL10984099

SCHEMBL10984099

C=CCn1cccc1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
RCE1 Q9Y256 1/20 0.36
NPC1 O15118 7/20 0.34
RAB9A P51151 6/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ALOX12 P18054 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL17260749 0.82
SCHEMBL1655684 0.77 ALOX5 (0.39) KMT2AMEN1MAPTALOX5ALDH1A1
SCHEMBL7675118 0.76 NPC1 (0.39) KMT2AMEN1MAPTALOX5ALDH1A1
SCHEMBL11642883 0.76 KDM4E (0.35) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL83810 0.74 KDM4E (0.41) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL11116599 0.73 CA1 (0.30)
SCHEMBL11345996 0.73
SCHEMBL7674447 0.71 HDAC8 (0.45) KMT2AMEN1MAPTALOX5ALDH1A1
SCHEMBL7963893 0.70 PTGS1 (0.43) KMT2AMEN1MAPTALOX5ALDH1A1
SCHEMBL11195177 0.70

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed
US-4187230-A Preparation of 5-aroyl-pyrrole compounds ETHYL CORPORATION (US) 1980-02-05 US disclosed