SCHEMBL3242200

SCHEMBL3242200

COC(=O)c1cccnc1-c1cc2cc(OC)ccc2n1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5AP P20292 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
PLA2G2A P14555 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3242825 0.87 MAPT (0.42) L3MBTL1TDP1ALOX5APALDH1A1KDM4E
SCHEMBL3857449 0.86 TDP1 (0.45) L3MBTL1TDP1ALOX5APALDH1A1KDM4E
SCHEMBL4554042 0.75 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EMAPK1AKR1C3
SCHEMBL812065 0.71 KDM4E (0.59) L3MBTL1TDP1ALDH1A1KDM4EHTT
SCHEMBL15347894 0.70 AKR1C3 (0.46) L3MBTL1ALDH1A1KDM4EAKR1C3AKR1C2
SCHEMBL3263775 0.68 KDM4E (0.45) L3MBTL1TDP1ALOX5APALDH1A1KDM4E
SCHEMBL17422732 0.68 KDM4E (0.54) L3MBTL1ALDH1A1KDM4EAKR1C3AKR1C2
SCHEMBL3202603 0.68 HDAC6 (0.47) L3MBTL1ALDH1A1KDM4EMAPK1AKR1C3
SCHEMBL7649536 0.67 TDP1 (0.59) L3MBTL1TDP1ALDH1A1KDM4EMEN1
SCHEMBL13828206 0.67 SLC6A2 (0.56) L3MBTL1ALDH1A1KDM4EPLA2G2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed