SCHEMBL14724047

SCHEMBL14724047

COC(=O)c1ccc(-c2c3ccc(=N)cc-3oc3cc(N(C)C)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.52
▸ ATM Q13315 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CFTR P13569 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ GOPC Q9HD26 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ACHE P22303 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ TNKS O95271 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 2/20 0.37

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
SCHEMBL31360528 0.85 ABCB1 (0.70) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL16425629 0.84 MEN1 (0.55) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL14535764 0.82 ABCB1 (0.57) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL3503594 0.81 MEN1 (0.72) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL14533580 0.81 MEN1 (0.54) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL92964 0.78 P2RY6 (0.49) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL14463386 0.76 MEN1 (0.39) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL25933452 0.76 P2RY6 (0.46) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL16425633 0.75 MEN1 (0.49) ABCB1ATMUSP2MEN1KMT2A
SCHEMBL13848619 0.75 ABCB1 (0.58) ABCB1ATMUSP2MEN1KMT2A

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-8383672-B2 Halogenated rhodamine derivatives and applications thereof KIADIS PHARMA CANADA INC. (NL) 2013-02-26 — — US disclosed
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