SCHEMBL28936208

SCHEMBL28936208

CCOC(=O)c1cc(-c2nc3ccc(NC(=O)C4(F)CC4)cc3o2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CASP3 P42574 2/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43
▸ MAPT P10636 8/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ CEPT1 Q9Y6K0 1/20 0.40
▸ HSD17B10 Q99714 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CETP P11597 1/20 0.39
▸ TP53 P04637 4/20 0.39

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
SCHEMBL23034158 0.86 NPC1 (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL30297428 0.86 NPC1 (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29479688 0.83 MAPT (0.52) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL28714614 0.83 MAPT (0.52) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL23034199 0.83 NPC1 (0.44) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29479699 0.78 ALDH1A1 (0.49) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL28713892 0.78 ALDH1A1 (0.49) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL23033343 0.78 RAB9A (0.50) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29479680 0.78 RAB9A (0.50) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29479768 0.78 SMN1; SMN2 (0.49) NPC1RAB9ACASP3SENP8SENP7

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
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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