SCHEMBL9080467

SCHEMBL9080467

O=c1ccn(Cc2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ TP53 P04637 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ MMP9 P14780 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ EGLN1 Q9GZT9 3/20 0.47
▸ VEGFA P15692 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9350788 0.79 HTT (1.00) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL3496060 0.75 NOTUM (0.64) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL4257630 0.73 ADORA2A (0.44) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL22868176 0.73 HTT (0.84) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL4265207 0.72 NOTUM (0.48) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL4273292 0.70 NOTUM (0.52) KDM4EMEN1KMT2APOLBNOTUM
SCHEMBL17111036 0.69 HTR6 (0.55) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL29696630 0.69 HTR6 (0.55) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL9877955 0.69 HDAC8 (0.49) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL4315216 0.69 CYP2D6 (0.47) HTTSMN1; SMN2KDM4ETP53CYP2D6

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
US-5552551-A COLORS FOR PHOSPHORESCENCE FLORIDA STATE UNIVERSITY (US) 1996-09-03 — — US claimed
US-5552551-A COLORS FOR PHOSPHORESCENCE FLORIDA STATE UNIVERSITY (US) 1996-09-03 — — US disclosed
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