SCHEMBL29479840

SCHEMBL29479840

c1cc(-c2nc3cc(N4CCCC4)ccc3o2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 2/20 0.57
▸ PIK3CA P42336 1/20 0.57
▸ HSD17B10 Q99714 4/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.47
▸ TERT O14746 3/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ CHKA P35790 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ UTRN P46939 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44

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
SCHEMBL2247599 0.85 NPC1 (0.62) HSD17B10TERTNPC1RAB9AKDM4E
SCHEMBL28695313 0.80 S1PR1 (0.43) PIK3CBPIK3CAHSD17B10HDAC6TERT
SCHEMBL23033979 0.80 S1PR1 (0.49) PIK3CBPIK3CAHSD17B10HDAC6NPC1
SCHEMBL2249941 0.80 RAB9A (0.68) PIK3CBHSD17B10NPC1RAB9AKDM4E
SCHEMBL9112458 0.78 NPC1 (0.61) HDAC6NPC1RAB9AKDM4EALDH1A1
SCHEMBL2240641 0.78 RAB9A (0.67) PIK3CBHSD17B10NPC1RAB9AKDM4E
SCHEMBL29479594 0.77 HDAC6 (0.46) HSD17B10HDAC6NPC1RAB9AKDM4E
SCHEMBL23012339 0.77 HDAC6 (0.46) HSD17B10HDAC6NPC1RAB9AKDM4E
SCHEMBL4676376 0.77 SMN1; SMN2 (0.54) HSD17B10HDAC6NPC1RAB9AKDM4E
SCHEMBL12171676 0.76 S1PR1 (0.48) HSD17B10HDAC6NPC1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
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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