SCHEMBL13060223

SCHEMBL13060223

COc1ccc(/C=C(C#N)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
MAPT P10636 6/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NFKB1 P19838 2/20 0.50
PKM P14618 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL13060225 0.88 KDM4E (0.57) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL17112792 0.86 KDM4E (0.64) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL13060221 0.86 KDM4E (0.54) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL17112791 0.86 KDM4E (0.64) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL19011313 0.84 ALDH1A1 (0.59) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL13060202 0.81 MAPT (0.72) KDM4EMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL171857 0.80 APP (0.69) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL18475585 0.80 APP (0.69) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL9351127 0.79 NPC1 (0.53) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL13004000 0.79 NPC1 (0.53) KDM4EMAPTNPC1RAB9AGAA

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-7851503-B2 Thrombopoetin receptor activator and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-14 US disclosed