SCHEMBL13089979

SCHEMBL13089979

CC(C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c4ccc(N(c5ccc(C(C)C)cc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4n(-c4ccc5ccccc5c4)c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 3/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ UGT2B7 P16662 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAT2A P31153 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CASR P41180 1/20 0.30

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
SCHEMBL21451747 0.86 DHFR (0.33) METAP2MEN1NPC1ALDH1A1HTT
SCHEMBL13089977 0.85 MAT2A (0.39) KIF11UGT2B7KDM4EMAT2A
SCHEMBL21965996 0.84 MAPK10 (0.36) MAPK10MAPK9
SCHEMBL21965995 0.83 MAPK10 (0.36) MAPK10MAPK9
SCHEMBL11922071 0.83 KDM4E (0.39) MAPK10NPC1ALDH1A1RAB9AKMT2A
SCHEMBL21965997 0.83 MAPK10 (0.36) MAPK10MAPK9
SCHEMBL21966619 0.83 MAPK10 (0.36) MAPK10MAPK9
SCHEMBL21076167 0.82 MAT2A (0.39) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL21966328 0.82 MAPK10 (0.38) MAPK10MAPK9
SCHEMBL21968585 0.82 ESR1 (0.36) MAPK10MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100259163-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-14 — — US disclosed
US-20100259163-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-14 — — US disclosed
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