SCHEMBL28182793

SCHEMBL28182793

O=C(CO[PH](=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CTNNB1 P35222 5/20 0.55
▸ WNT3A P56704 5/20 0.55
▸ NPC1 O15118 7/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MAOB P27338 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RAB9A P51151 5/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 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
SCHEMBL5469811 0.80 MEN1 (0.70) MEN1KMT2ACTNNB1WNT3ANPC1
SCHEMBL28182768 0.79 CTNNB1 (0.49) MEN1KMT2ACTNNB1WNT3ANPC1
SCHEMBL2237626 0.77 MEN1 (0.76) MEN1KMT2ACTNNB1WNT3ANPC1
SCHEMBL29458253 0.77 MEN1 (0.76) MEN1KMT2ACTNNB1WNT3ANPC1
SCHEMBL6486626 0.76 CTNNB1 (0.66) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL4865452 0.76 CTNNB1 (0.66) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL1092123 0.74 ATM (0.81) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL13785040 0.74 CTNNB1 (0.64) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL2843731 0.74 CTNNB1 (0.64) MEN1KMT2ACTNNB1WNT3AALDH1A1
SCHEMBL4258312 0.74 CTNNB1 (0.64) MEN1KMT2ACTNNB1WNT3AALDH1A1

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
CN-107383024-B The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2018-06-08 — — CN disclosed
CN-107383024-A The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2017-11-24 — — CN disclosed
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