SCHEMBL19501726

SCHEMBL19501726

CCCCC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(C)(C)CCC)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CNR1 P21554 7/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ NR1H3 Q13133 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36

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
SCHEMBL19558571 0.97 CNR2 (0.48) CNR2L3MBTL1CNR1TP53SMN1; SMN2
SCHEMBL12957927 0.94 L3MBTL1 (0.46) CNR2L3MBTL1TP53SMN1; SMN2ACP1
SCHEMBL19731976 0.80 L3MBTL1 (0.48) L3MBTL1TP53SMN1; SMN2ACP1ADORA3
SCHEMBL20143814 0.80 L3MBTL1 (0.48) L3MBTL1TP53SMN1; SMN2ACP1ADORA3
SCHEMBL23719337 0.80 L3MBTL1 (0.44) L3MBTL1TP53SMN1; SMN2ACP1NR1H3
SCHEMBL14228154 0.79 CNR2 (0.49) CNR2L3MBTL1CNR1NR1H3ALDH1A1
SCHEMBL598065 0.78 TAAR1 (0.52) CNR2CNR1
SCHEMBL26280691 0.78 CNR2 (0.39) CNR2CNR1TP53SMN1; SMN2ACP1
SCHEMBL16716220 0.77 CNR2 (0.39) CNR2CNR1TP53SMN1; SMN2NPC1
SCHEMBL13294533 0.76 CNR2 (0.42) CNR2L3MBTL1CNR1NR1H3ALDH1A1

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
US-20170301881-A1 ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-10-19 — — US disclosed
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