SCHEMBL5266413

SCHEMBL5266413

[c]1nc2ccccc2cc1C1NCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.39
MAPT P10636 6/20 0.33
ALDH1A1 P00352 5/20 0.33
TP53 P04637 4/20 0.33
CYP2D6 P10635 4/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DRD1 P21728 6/20 0.32
MAPK1 P28482 4/20 0.32
DRD2 P14416 4/20 0.32
DRD4 P21917 4/20 0.32
HPGD P15428 3/20 0.32
CYP1A2 P05177 2/20 0.32
PKM P14618 2/20 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
SCHEMBL5190924 0.86 PRCP (0.48) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL18686402 0.72 DRD1 (0.35) MAPTALDH1A1TP53CYP2D6HSD17B10
SCHEMBL10773340 0.69 SLC6A2 (0.36) PTPRAMAPTALDH1A1HPGDGLA
SCHEMBL627814 0.67 CYP2D6 (0.39) MAPTALDH1A1TP53CYP2D6HSD17B10
SCHEMBL940897 0.65 F2R (0.31)
SCHEMBL5972310 0.64 ALDH1A1 (0.32) MAPTALDH1A1HPGDCYP1A2GLA
SCHEMBL1471223 0.64 DRD1 (0.37) MAPTALDH1A1TP53CYP2D6HSD17B10
SCHEMBL6985456 0.63 PRCP (0.66) CYP2D6CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL4513395 0.63 RAB9A (0.36) MAPTALDH1A1TP53HSD17B10KDM4E
SCHEMBL627815 0.62 PRCP (0.49) MAPTCYP2D6KDM4ECYP3A4MEN1

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-1841766-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP claimed
WO-2006077401-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO claimed