SCHEMBL30895367

SCHEMBL30895367

Cc1ccc(-c2ccc3c(c2)nnc2ccccc23)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.50
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NQO2 P16083 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL29216867 1.00 GPR3 (0.50) GPR3NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL29216865 0.84 GPR3 (0.52) GPR3NPC1RAB9AALDH1A1MEN1
SCHEMBL29216870 0.81 GPR3 (0.58) GPR3HTTLMNABACE1
SCHEMBL29216861 0.81 GPR3 (0.48) GPR3ALDH1A1MEN1KMT2AMAPK1
SCHEMBL29216859 0.81 GPR3 (0.48) GPR3NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL30895365 0.81 GPR3 (0.48) GPR3NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL29216866 0.77 GPR3 (0.44) GPR3NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL29216863 0.76 GPR3 (0.47) GPR3NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL29216873 0.76 GPR3 (0.47) GPR3NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL30895366 0.75 GPR3 (0.61) GPR3NPC1SMN1; SMN2RAB9AALDH1A1

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
CN-118084804-A Preparation method of benzo [ c ] cinnoline compound 中科中山药物创新研究院 2024-05-28 CN disclosed