SCHEMBL22014949

SCHEMBL22014949

COc1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
OXTR P30559 1/20 0.42

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
SCHEMBL17987018 1.00 SLC2A1 (0.55) SLC2A1RAB9AMEN1KMT2ACA1
SCHEMBL84040 0.87 RAB9A (0.62) SLC2A1RAB9AMEN1KMT2ACA1
SCHEMBL18805967 0.84 TYR (0.44) ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1
SCHEMBL1573622 0.84 CA1 (0.65) SLC2A1RAB9AMEN1KMT2ACA1
SCHEMBL12922764 0.84 TYR (0.44) ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1
SCHEMBL6233100 0.84 CA1 (0.65) SLC2A1RAB9AMEN1KMT2ACA1
SCHEMBL21999284 0.84 RAB9A (0.53) SLC2A1RAB9AMEN1KMT2ACA1
SCHEMBL12425213 0.82 ALDH1A1 (0.58) SLC2A1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13778697 0.80 MEN1 (0.56) SLC2A1RAB9AMEN1KMT2ACA1
SCHEMBL487342 0.80 RAB9A (0.56) SLC2A1RAB9AMEN1KMT2ACA1

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