SCHEMBL29993463

SCHEMBL29993463

COc1cc2c(cc1OCc1ccccc1)NCC=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL6865208 0.81 CHRNA7 (0.44) CHRNA7PDE4APDE4BPDE4CPDE4D
SCHEMBL16537757 0.73 PDE4A (0.53) CHRNA7PDE4APDE4BPDE4CPDE4D
SCHEMBL16536586 0.73 PDE4A (0.53) CHRNA7PDE4APDE4BPDE4CPDE4D
SCHEMBL5762667 0.73 CHRNA7 (0.55) CHRNA7PDE4APDE4BPDE4CPDE4D
SCHEMBL1894922 0.72 CHRNA7 (0.51) CHRNA7PDE4BCTSVCTSLSRD5A1
SCHEMBL6031474 0.70 EGFR (0.50) CHRNA7PDE4APDE4BPDE4CPDE4D
SCHEMBL13791570 0.68 MAOB (0.62) MAPK1HSD17B10SMN1; SMN2MAOBSMPD1
SCHEMBL12772071 0.68 MAOB (0.62) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3056405 0.68 MAOA (0.62) CHRNA7PDE4APDE4BPDE4CPDE4D
SCHEMBL7827220 0.68 PDGFRB (0.59) CHRNA7CTSLSRD5A1SRD5A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433124-B Preparation method of 4-chloro-6-methoxy-7-benzyloxy quinoline 常州佳德医药科技有限公司 2024-08-06 CN claimed
CN-115433124-A Preparation method of 4-chloro-6-methoxy-7-benzyloxy quinoline 常州佳德医药科技有限公司 2022-12-06 CN claimed
CN-115433124-B Preparation method of 4-chloro-6-methoxy-7-benzyloxy quinoline 常州佳德医药科技有限公司 2024-08-06 CN disclosed
CN-115433124-B Preparation method of 4-chloro-6-methoxy-7-benzyloxy quinoline 常州佳德医药科技有限公司 2024-08-06 CN disclosed
CN-115433124-A Preparation method of 4-chloro-6-methoxy-7-benzyloxy quinoline 常州佳德医药科技有限公司 2022-12-06 CN disclosed
CN-115433124-A Preparation method of 4-chloro-6-methoxy-7-benzyloxy quinoline 常州佳德医药科技有限公司 2022-12-06 CN disclosed