SCHEMBL13325764

SCHEMBL13325764

Cc1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ AKT1 P31749 3/20 0.60
▸ AKT2 P31751 3/20 0.60
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ ADORA1 P30542 1/20 0.52
▸ ADRA1B P35368 1/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NTRK1 P04629 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL25790017 0.98 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL23509637 0.91 MAPT (0.53) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL23509740 0.91 MAPT (0.53) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL19953862 0.90 AKT1 (0.66) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL13599904 0.90 AKT1 (0.66) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL5347018 0.90 NPC1 (0.66) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL22342529 0.90 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL25790034 0.87 AKT1 (0.54) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL15382793 0.87 AKT1 (0.63) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL24479406 0.87 AKT1 (0.63) ALDH1A1NPC1RAB9AAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017099693-A1 SYNTHESES OF METAL HETEROCYCLIC CARBENE ENOLATES AS COUPLING REACTIONS CATALYSTS COSKUN NEJDET (TR) 2017-06-15 — — WO disclosed
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 — — US disclosed
EP-1679747-B1 ORGANIC THIN FILM TRANSISTOR IDEMITSU KOSAN CO (JP) 2009-05-27 — — EP disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 — — US disclosed
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