SCHEMBL8559109

SCHEMBL8559109

Clc1ccc2nc(Sc3cc[c]cc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CTSD P07339 1/20 0.36
▸ BACE1 P56817 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ NR4A2 P43354 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PSMB8 P28062 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8559644 0.81 MAPT (0.53) MAPTTP53CTSDBACE1HPGD
SCHEMBL8565253 0.79 NQO1 (0.50) MAPTHRH3PDGFRBPDGFRAHDAC1
SCHEMBL8565804 0.78 HPGD (0.43) MAPTTP53CTSDBACE1RXFP1
SCHEMBL23457529 0.71 HTR3A (0.35) HTR3AHRH4CTSDBACE1HRH3
SCHEMBL29699567 0.71 HTR3A (0.35) HTR3AHRH4CTSDBACE1HRH3
SCHEMBL4580401 0.68 MAOA (0.56) MAPTTP53CYP2A6HPGD
SCHEMBL4066225 0.68 SLC6A4 (0.47) MAPTTP53CTSDCYP2A6
SCHEMBL8560277 0.68 SMN1; SMN2 (0.59) MAPTSMN1; SMN2
SCHEMBL229173 0.67 CYP1A2 (0.63) HTR3AMAPTHRH4BACE1HRH3
SCHEMBL198060 0.67 BACE1 (0.50) HTR3AHRH4BACE1HRH3PDGFRB

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 — — US disclosed
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