SCHEMBL24254588

SCHEMBL24254588

COC(=O)C(C(=O)Nc1ccccn1)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.60
▸ NPC1 O15118 8/20 0.54
▸ RAB9A P51151 8/20 0.54
▸ POLB P06746 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ S1PR3 Q99500 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ FFAR2 O15552 1/20 0.49
▸ PKM P14618 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MITF O75030 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RIOK2 Q9BVS4 1/20 0.46

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
SCHEMBL14516217 0.81 F2 (0.59) F2NPC1RAB9APOLBKMT2A
SCHEMBL27820687 0.81 MMP8 (0.62) NPC1RAB9APOLBKMT2AS1PR1
SCHEMBL11181798 0.76 KMT2A (0.61) F2NPC1RAB9APOLBKMT2A
SCHEMBL12502132 0.75 F2 (1.00) F2NPC1RAB9AKMT2ANPSR1
SCHEMBL1042666 0.75 ALDH1A1 (0.56) NPC1RAB9AKMT2ANPSR1SMN1; SMN2
SCHEMBL1565503 0.75 F2 (0.51) F2NPC1RAB9APOLBKMT2A
SCHEMBL2899163 0.74 NR3C1 (0.67) F2NPC1RAB9APOLBKMT2A
SCHEMBL4247770 0.74 POLB (0.66) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL28475782 0.72 F2 (0.69) F2NPC1RAB9APOLBKMT2A
SCHEMBL1565310 0.72 ALDH1A1 (0.65) F2NPC1RAB9APOLBKMT2A

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
WO-2022036033-A2 SOLID STATE FORMS OF AN ORGANIC COMPOUND SERVIER PHARMACEUTICALS, LLC (US) 2022-02-17 — — WO disclosed
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