SCHEMBL12969145

SCHEMBL12969145

CCCc1ccccc1-c1cc2c([nH]c3ccccc32)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ RAB9A P51151 1/20 0.43
▸ NQO2 P16083 1/20 0.40
▸ KIF11 P52732 3/20 0.40
▸ PARP14 Q460N5 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37

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
SCHEMBL7760020 0.81 PARP14 (0.54) MAPTMAPK1NPSR1KIF11PARP14
SCHEMBL7656635 0.77 KIF11 (0.46) MAPTRAB9AKIF11PARP14KDM4E
SCHEMBL2519316 0.75 KIF11 (0.55) MAPTMAPK1NPSR1RAB9AKIF11
SCHEMBL29836254 0.75 KIF11 (0.55) MAPTMAPK1NPSR1RAB9AKIF11
Ammonia Solution, Strong SCHEMBL28526125 0.73 KIF11 (0.53) MAPTMAPK1NPSR1RAB9AKIF11
SCHEMBL30658552 0.73 KIF11 (0.53) MAPTMAPK1NPSR1RAB9AKIF11
SCHEMBL27921829 0.72 PARP14 (0.54) MAPTMAPK1NPSR1KIF11PARP14
SCHEMBL3189571 0.72 KIF11 (0.59) MAPTMAPK1NPSR1NQO2KIF11
SCHEMBL3840020 0.71 ALDH1A1 (0.43) MAPTMAPK1NPSR1RAB9AKIF11
SCHEMBL3197265 0.71 RAB9A (0.53) MAPTMAPK1NPSR1RAB9AKIF11

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
WO-2012135133-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2012-10-04 — — WO disclosed
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