SCHEMBL3404141

SCHEMBL3404141

O=C(O)c1cnc(N2CC3=C(CNC3)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
OGA O60502 1/20 0.37
RBP4 P02753 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
P4HA1 P13674 2/20 0.35
P4HTM Q9NXG6 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MIF P14174 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL598464 0.76 POLB (0.65) POLBOGAALDH1A1HSD17B10KDM4E
SCHEMBL2294470 0.73 CHRM4 (0.45) HDAC6
SCHEMBL184998 0.73 POLB (0.71) POLBOGARBP4ALDH1A1HSD17B10
SCHEMBL186135 0.72 POLB (0.69) POLBOGARBP4ALDH1A1HSD17B10
SCHEMBL16048627 0.70 POLB (0.53) POLBOGARBP4ALDH1A1KDM4E
SCHEMBL23157959 0.69 POLB (0.65) POLBOGARBP4ALDH1A1HSD17B10
SCHEMBL605729 0.69 POLB (1.00) POLBOGAALDH1A1HSD17B10KDM4E
SCHEMBL15038303 0.69 POLB (0.65) POLBOGAALDH1A1HSD17B10KDM4E
SCHEMBL3771565 0.69 POLB (0.65) POLBOGARBP4ALDH1A1HSD17B10
SCHEMBL17075509 0.69 POLB (0.55) POLBOGARBP4ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152711-B1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI AVENTIS (FR) 2010-11-24 EP disclosed
EP-2152711-A1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS Sanofi-Aventis (FR) 2010-02-17 EP disclosed
WO-2008135141-A1 2 -HETEROARYL- PYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2008-11-13 WO disclosed