SCHEMBL17452009

SCHEMBL17452009

S=P(c1ccccc1)(c1ccc(-c2ccncc2)cc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.41
▸ TOP1 P11387 1/20 0.41
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.37
▸ TNF P01375 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL17451944 0.84 KDM4E (0.43) NOTUMTOP1MAPTKDM4EHPGD
SCHEMBL17452012 0.81 ESR1 (0.46) TOP1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11461100 0.80 NPSR1 (0.44) TOP1KDM4EHPGDNPC1RAB9A
SCHEMBL17452014 0.78 TOP1 (0.42) TOP1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17452013 0.78 PDGFRB (0.48) TOP1NPSR1
SCHEMBL17452010 0.77 TOP1 (0.46) TOP1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17452007 0.75 TOP1 (0.47) TOP1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL9756557 0.74 ALDH1A1 (0.46) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL8933374 0.74 RAB9A (0.49) MAPTKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL8933373 0.74 RAB9A (0.49) MAPTKDM4EHPGDSMN1; SMN2NPC1

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-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
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