SCHEMBL1133399

SCHEMBL1133399

CN(C)C=CC(=O)c1ccc(-c2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.59
ALDH1A1 P00352 10/20 0.59
KMT2A Q03164 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
POLB P06746 4/20 0.59
MEN1 O00255 2/20 0.59
HPGD P15428 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX12 P18054 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 3/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALPL P05186 1/20 0.41
LMNA P02545 2/20 0.39

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
SCHEMBL12669736 0.78 MAPT (0.52) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL1133645 0.76 MAPT (0.50) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL1133647 0.76 MAPT (0.50) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL1865392 0.73 MAPT (0.47) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL1865394 0.73 MAPT (0.47) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL4221175 0.73 MAPT (0.60) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL8798630 0.73 MAPT (0.60) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL30052762 0.73 MAPT (0.60) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL4221172 0.73 MAPT (0.60) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL8798626 0.73 MAPT (0.60) MAPTALDH1A1KMT2ANPC1RAB9A

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-2285801-A1 PROCESS FOR THE PREPARATION OF 5-(2-AMINO-PYRIMIDIN-4-YL)-2-ARYL-1H-PYRROLE-3-CARBOXAMIDES Nerviano Medical Sciences S.r.l. (IT) 2011-02-23 EP disclosed
WO-2009133170-A1 PROCESS FOR THE PREPARATION OF 5-(2-AMINO-PYRIMIDIN-4-YL)-2-ARYL-1H-PYRROLE-3-CARBOXAMIDES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-05 WO disclosed