SCHEMBL28023867

SCHEMBL28023867

CC(N)(N)n1c2ccccc2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.48
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20691793 0.86 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL21695305 0.82 GPR3 (0.44) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL2608424 0.80 GPR3 (0.52) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL29625463 0.80 GPR3 (0.52) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL18381750 0.78 GPR3 (0.50) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL15836286 0.76 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL18995603 0.76 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL24359753 0.76 GPR3 (0.39) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL26016240 0.73 KIF11 (0.45) GPR3KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL18595609 0.73 GPR3 (0.44) GPR3CYP1A2CYP2C19POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294539-A Aluminum ion fluorescent probe compound and preparation method thereof UNIV QILU TECHNOLOGY 2016-02-03 — — CN claimed
CN-104710344-A Schiff base type fluorescence probe compound taking carbazole as center and preparation thereof UNIV QILU TECHNOLOGY 2015-06-17 — — CN claimed
CN-105294539-A Aluminum ion fluorescent probe compound and preparation method thereof UNIV QILU TECHNOLOGY 2016-02-03 — — CN disclosed
CN-104710344-A Schiff base type fluorescence probe compound taking carbazole as center and preparation thereof UNIV QILU TECHNOLOGY 2015-06-17 — — CN disclosed
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