SCHEMBL11750331

SCHEMBL11750331

NC(=O)Nc1cccc(Oc2ncccn2)c1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PPIA P62937 1/20 0.38
▸ P2RY1 P47900 5/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 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
SCHEMBL11830034 0.80 TSHR (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29286 0.73 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11128036 0.72 KDM4E (0.47) KDM4EGAAALDH1A1RAB9ANPC1
SCHEMBL9592615 0.70 CTNNB1 (0.61) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL28748733 0.68 POLB (0.54) KDM4EGAAALDH1A1RAB9ANPC1
SCHEMBL11133778 0.68 MEN1 (0.48) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL29840068 0.68 GAA (0.67) KDM4EGAAALDH1A1RAB9ANPC1
SCHEMBL3928666 0.68 GAA (0.67) KDM4EGAAALDH1A1RAB9ANPC1
SCHEMBL10559219 0.67 RAB9A (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2P2RY1
SCHEMBL9275209 0.66 ELANE (0.44) KDM4EGAAALDH1A1RAB9ANPC1

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-4001234-A SUBSTITUTED PYRIMIDINYLOXY(THIO)PHENYL UREAS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 1977-01-04 — — US disclosed
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