SCHEMBL17364441

SCHEMBL17364441

COc1cccc(Nc2cccc(Nc3ccc(OC)nc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PIK3CA P42336 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MTNR1B P49286 3/20 0.52
MTNR1A P48039 2/20 0.52
FYN P06241 1/20 0.52
POLB P06746 1/20 0.51
EGFR P00533 4/20 0.50
SYK P43405 1/20 0.50
ROCK1 Q13464 1/20 0.49
ERBB3 P21860 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
JAK2 O60674 1/20 0.48
PTK2 Q05397 1/20 0.48

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
SCHEMBL13617494 0.90 MTNR1B (0.52) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL13302353 0.83 MEN1 (0.69) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL14127702 0.83 KMT2A (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL29636514 0.83 KMT2A (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14127743 0.82 MAPT (0.63) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL29636429 0.82 MAPT (0.63) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL29636445 0.82 KMT2A (0.54) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL14127745 0.82 KMT2A (0.54) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL1921496 0.81 MTNR1B (0.72) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL1085867 0.81 MEN1 (0.71) MEN1KMT2AMAPTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 US disclosed
US-20170191986-A1 Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HMI Medical Innovations, LLC 2017-07-06 US disclosed
US-9645137-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2017-05-09 US disclosed
US-20160153965-A1 Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HMI Medical Innovations, LLC 2016-06-02 US disclosed
US-9222933-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2015-12-29 US disclosed