SCHEMBL470764

SCHEMBL470764

N#C/C(=C1/c2cc3ccccc3cc2-c2c1c1c(c3c2/C(=C(\C#N)c2ccccn2)c2cc4ccccc4cc2-3)/C(=C(\C#N)c2ccccn2)c2cc3ccccc3cc2-1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
EGFR P00533 3/20 0.40
IGF1R P08069 3/20 0.40
IGF2R P11717 3/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 3/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL10023031 0.85 MAPT (0.48) MAPTRAB9ANPC1POLBPKM
SCHEMBL22969900 0.79 MAPT (0.52) MAPTRAB9ANPC1POLBPKM
SCHEMBL470770 0.78 KDM4E (0.34) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL470766 0.73 ALDH1A1 (0.38) MAPTPKMEGFRALDH1A1KDM4E
SCHEMBL27119496 0.73 MAPT (0.48) MAPTRAB9ANPC1POLBPKM
SCHEMBL470763 0.72 RAB9A (0.37) MAPTRAB9ANPC1POLBEGFR
SCHEMBL22109072 0.66 ALDH1A1 (0.33) MAPTPKMALDH1A1GAA
SCHEMBL31304036 0.66 RAB9A (0.68) MAPTRAB9ANPC1POLBPKM
SCHEMBL23326492 0.63 RAB9A (0.81) MAPTRAB9ANPC1POLBPKM
SCHEMBL2080353 0.63 OPRD1 (0.44) MAPTRAB9ANPC1POLBPKM

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-20140144509-A1 Compounds for Organic Photovoltaic Devices NOVALED AG (DE) 2014-05-29 US disclosed
WO-2012031735-A1 COMPOUNDS FOR ORGANIC PHOTOVOLTAIC DEVICES NOVALED AG (DE) 2012-03-15 WO disclosed