SCHEMBL28291247

SCHEMBL28291247

Nc1ccc(-c2cccc(-c3nc4ccc(N)cc4o3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.77
RAB9A P51151 14/20 0.77
KDM4E B2RXH2 13/20 0.77
MAPT P10636 12/20 0.77
ALDH1A1 P00352 11/20 0.77
SMN1; SMN2 Q16637 10/20 0.77
KMT2A Q03164 8/20 0.77
MEN1 O00255 7/20 0.77
HPGD P15428 7/20 0.77
GAA P10253 4/20 0.77
GLA P06280 2/20 0.77
GFER P55789 3/20 0.58
ATM Q13315 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
TP53 P04637 5/20 0.56
HSD17B10 Q99714 3/20 0.56
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
CASP1 P29466 1/20 0.52

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
SCHEMBL30296291 0.94 NPC1 (0.75) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL16424489 0.94 NPC1 (0.75) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL2268609 0.89 NPC1 (0.78) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL29363950 0.89 NPC1 (0.78) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL28292707 0.89 RAB9A (0.96) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL2245075 0.87 RAB9A (1.00) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL27001624 0.86 NPC1 (0.73) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL27001620 0.86 NPC1 (0.73) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL28728235 0.86 NPC1 (0.73) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL2491134 0.85 RAB9A (0.96) NPC1RAB9AKDM4EMAPTALDH1A1

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-109734908-B Polyamide acid and preparation method thereof, polyimide and preparation method of polyimide film 武汉柔显科技股份有限公司 2021-01-12 CN disclosed
CN-109734908-A The preparation method of polyamic acid and preparation method, polyimides and Kapton 武汉柔显科技股份有限公司 2019-05-10 CN disclosed