SCHEMBL19524809

SCHEMBL19524809

CCCc1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
ACP1 P24666 2/20 0.46
PDE5A O76074 1/20 0.44
POLB P06746 1/20 0.43
ADORA2B P29275 1/20 0.43
HTR1A P08908 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL27552500 0.96 KDM4E (0.50) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL24383548 0.86 L3MBTL1 (0.58) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL28327919 0.85 GPR84 (0.57) L3MBTL1MAPTSMN1; SMN2ADORA2AADORA3
SCHEMBL24383547 0.84 HPGD (0.49) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL12732279 0.84 GPR84 (0.51) L3MBTL1ADORA2AADORA1ADORA3ACP1
SCHEMBL4251526 0.83 GPR84 (0.55) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL11978708 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1HPGDMAPTNPC1
SCHEMBL28827848 0.82 GPR84 (0.58) L3MBTL1MAPTSMN1; SMN2ADORA2AADORA1
SCHEMBL1959103 0.80 GPR84 (0.55) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL20160862 0.80 PPARA (0.51) ALDH1A1HPGDKDM4EMAPTNPC1

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-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
EP-2935276-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-01 EP disclosed