SCHEMBL22014956

SCHEMBL22014956

COc1ccc(N(c2ccc(C(C)(C)c3ccc(Br)cc3)cc2)c2ccc(C(C)(C)c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES O14684 1/20 0.39
AOC3 Q16853 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL8943957 0.91 CA1 (0.46) KMT2AMAPTLMNAMEN1RAB9A
SCHEMBL8319450 0.87 RAB9A (0.53) KMT2AMAPTLMNAMEN1RAB9A
SCHEMBL578301 0.87 RAB9A (0.53) KMT2AMAPTLMNAMEN1RAB9A
SCHEMBL8097578 0.87 RAB9A (0.53) KMT2AMAPTLMNAMEN1RAB9A
SCHEMBL22015331 0.84 SMN1; SMN2 (0.46) KMT2ALMNAMEN1CA12CA1
SCHEMBL22015325 0.83 NQO1 (0.45) KMT2AMAPTMEN1MAOBGAA
SCHEMBL22015334 0.83 TUBB1 (0.45) KMT2AMAPTMEN1RAB9AAOC3
SCHEMBL23219385 0.82 MEN1 (0.48) KMT2AMAPTLMNAMEN1RAB9A
SCHEMBL15703026 0.82 MEN1 (0.48) KMT2AMAPTLMNAMEN1RAB9A
SCHEMBL3364659 0.82 MEN1 (0.48) KMT2AMAPTLMNAMEN1RAB9A

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