SCHEMBL14039788

SCHEMBL14039788

Nc1ccc(Sc2cccc3c2C(=O)c2cccc(Sc4ccccc4)c2C3=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ NSD2 O96028 1/20 0.73
▸ ADORA2A P29274 3/20 0.55
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ANXA2 P07355 1/20 0.44
▸ S100A10 P60903 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ DHFR P00374 2/20 0.40

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
SCHEMBL6365480 0.95 MAPK1 (0.64) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL28752267 0.94 MAPK1 (0.68) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL17284185 0.90 MAPK1 (0.72) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL4465042 0.90 MAPT (0.89) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL11579534 0.89 MAPT (0.75) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL10608055 0.88 MAPT (0.69) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL30475313 0.86 MAPT (0.89) MAPTMAPK1KDM4ENSD2ADORA2A
Anthraquinone SCHEMBL11411972 0.86 MAPT (0.89) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL285567 0.86 MAPT (0.89) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL13797742 0.86 NSD2 (0.54) MAPTMAPK1KDM4ENSD2ADORA2A

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-1236786-B1 Guest-host liquid crystal composition and guest-host liquid crystal display device TOSHIBA KK (JP) 2008-10-08 — — EP disclosed
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