SCHEMBL10070678

SCHEMBL10070678

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccn5)c4)n3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ LMNA P02545 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ GRM5 P41594 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KLF5 Q13887 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CCR1 P32246 2/20 0.47
▸ CCR5 P51681 2/20 0.47
▸ CCR8 P51685 2/20 0.47
▸ ALPL P05186 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
SCHEMBL17367800 0.98 KDM4E (0.51) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL17945610 0.97 MEN1 (0.54) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL17343370 0.95 KDM4E (0.47) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL19009531 0.95 MEN1 (0.51) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL18327439 0.95 KDM4E (0.53) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL17945817 0.93 MEN1 (0.54) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL16305245 0.93 KDM4E (0.46) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL21018792 0.93 KDM4E (0.49) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL17367802 0.93 KDM4E (0.51) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL16305222 0.92 MEN1 (0.49) KDM4ELMNAALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 — — US disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 — — US disclosed
WO-2012088192-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 — — WO disclosed
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