SCHEMBL22014967

SCHEMBL22014967

COc1ccccc1N(c1ccc(C(C)(C)c2ccc(Br)cc2)cc1)c1ccc(C(C)(C)c2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.46
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPK1 P28482 3/20 0.34

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
SCHEMBL3364561 0.86 PTGES (0.54) PTGESALDH1A1MEN1KMT2AMAPT
SCHEMBL15703025 0.84 PTGES (0.50) PTGESALDH1A1MEN1KMT2AMAPT
SCHEMBL3364655 0.81 PTGES (0.50) PTGESALDH1A1MEN1KMT2AMAPT
SCHEMBL18574050 0.80 CA1 (0.38) PTGESALDH1A1MEN1KMT2AMAPT
SCHEMBL12701798 0.77 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19275049 0.77 CA1 (0.48) PTGESALDH1A1MEN1KMT2AMAPT
SCHEMBL22015334 0.77 TUBB1 (0.45) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL22014956 0.76 KMT2A (0.43) PTGESALDH1A1MEN1KMT2AMAPT
SCHEMBL19275032 0.76 CA1 (0.46) PTGESALDH1A1MEN1KMT2AMAPT
SCHEMBL4669496 0.75 CA1 (0.50) ALDH1A1MEN1KMT2AHPGDNPC1

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
EP-3024039-B1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LTD (GB) 2020-05-20 EP disclosed