SCHEMBL23034199

SCHEMBL23034199

CCOC(=O)c1cc(-c2nc3ccc(NC(=O)[C@@H]4C[C@@H]4F)cc3o2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CEPT1 Q9Y6K0 1/20 0.40
▸ ABL1 P00519 6/20 0.40
▸ KIT P10721 1/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NAMPT P43490 1/20 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 0.87 NPC1 (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL30297428 0.87 NPC1 (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL23012327 0.86 CASP3 (0.47) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL23012967 0.84 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL29479590 0.84 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL23012765 0.84 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL28936208 0.83 NPC1 (0.44) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL30850818 0.79 ALDH1A1 (0.49) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL23012294 0.79 ALDH1A1 (0.49) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL23033343 0.77 RAB9A (0.50) NPC1RAB9AMEN1KMT2ACASP3

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-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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