SCHEMBL2853209

SCHEMBL2853209

C=C(C#N)COc1cc(C)c(-c2ccccc2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 8/20 0.36
HPGD P15428 4/20 0.36
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 6/20 0.36
TDP1 Q9NUW8 4/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 4/20 0.35
PPARD Q03181 2/20 0.35
GAA P10253 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GLA P06280 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
SYK P43405 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 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
SCHEMBL2850939 0.79 MPO (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL2851266 0.78 ALDH1A1 (0.42) L3MBTL1ALDH1A1HPGDCYP1A2KDM4E
SCHEMBL2858821 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1HPGDCYP1A2KDM4E
SCHEMBL4792958 0.68 SYK (0.39) L3MBTL1PDE10AALDH1A1HPGDKDM4E
SCHEMBL24268258 0.67 PDE10A (0.55) L3MBTL1PDE10AALDH1A1HPGDCYP1A2
SCHEMBL2878633 0.66 SYK (0.37) PDE10APPARDCYP2C9CYP2C19SYK
SCHEMBL10932527 0.65 ALOX15 (0.50) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL18852026 0.64 CHEK1 (0.51) L3MBTL1PDE10AALDH1A1HPGDCYP1A2
SCHEMBL11554255 0.62 PDE10A (0.67) L3MBTL1PDE10AALDH1A1HPGDKDM4E
SCHEMBL15811056 0.62 KDM4E (0.46) L3MBTL1PDE10AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP claimed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP disclosed
EP-1924558-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-28 EP disclosed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 WO disclosed