SCHEMBL155671

SCHEMBL155671

COc1ccc(-c2cccc3c2cc2n3-c3ccccc3C2=O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
PARP1 P09874 1/20 0.45
PRKCA P17252 1/20 0.44
GSK3B P49841 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43
CYP3A7 P24462 1/20 0.43
CYP2F1 P24903 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
SCHEMBL29929711 0.85 TNFRSF1A (0.46) MAPTLMNAHTTPARP1HSD17B10
SCHEMBL143394 0.85 TNFRSF1A (0.46) MAPTLMNAHTTPARP1HSD17B10
SCHEMBL155669 0.81 NTRK1 (0.53) MAPTLMNAHTTPARP1PRKCA
SCHEMBL29930012 0.77 GRIK1 (0.46) MAPTCYP1A2CYP2A6HSD17B10TP53
SCHEMBL144090 0.77 MAPT (0.45) MAPTLMNAHTTCYP1A2CYP2A6
SCHEMBL143250 0.77 GRIK1 (0.46) MAPTCYP1A2CYP2A6HSD17B10TP53
SCHEMBL29930299 0.77 MAPT (0.45) MAPTLMNAHTTCYP1A2CYP2A6
SCHEMBL157234 0.75 MAPT (0.45) MAPTLMNAHTTCYP3A4CYP1A2
SCHEMBL29929589 0.75 MAPT (0.45) MAPTLMNAHTTCYP3A4CYP1A2
SCHEMBL154089 0.74 MAPK14 (0.47) MAPTLMNAHTTNTRK1HSD17B10

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-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed