SCHEMBL23033337

SCHEMBL23033337

COC(=O)c1ccnc(-c2nc3cc(N)ccc3o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.67
▸ MAPT P10636 10/20 0.67
▸ SMN1; SMN2 Q16637 9/20 0.67
▸ TP53 P04637 5/20 0.67
▸ NPC1 O15118 9/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ KDM4E B2RXH2 8/20 0.50
▸ KDM4C Q9H3R0 2/20 0.50
▸ KDM6B O15054 1/20 0.50
▸ KDM5C P41229 1/20 0.50
▸ KDM2A Q9Y2K7 1/20 0.50
▸ KDM3A Q9Y4C1 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ HPGD P15428 4/20 0.47
▸ PIK3CB P42338 1/20 0.46
▸ GFER P55789 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HSPD1 P10809 2/20 0.45

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
SCHEMBL23033336 0.83 MAPT (0.69) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL12942543 0.81 RAB9A (1.00) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL23012299 0.80 RAB9A (0.69) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL23033340 0.79 MAPT (0.53) RAB9AMAPTSMN1; SMN2TP53KDM4E
SCHEMBL19029474 0.78 MAPT (0.86) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL31165934 0.77 RAB9A (0.58) RAB9AMAPTSMN1; SMN2TP53NPC1
Hydrochloric Acid SCHEMBL28710759 0.76 RAB9A (0.56) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL6821226 0.75 MAPT (0.72) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL29974587 0.74 RAB9A (0.64) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL210184 0.74 RAB9A (0.64) RAB9AMAPTSMN1; SMN2TP53NPC1

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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