SCHEMBL28864005

SCHEMBL28864005

c1ccc2[nH]c(C(c3cc4ccccc4[nH]3)(c3cc4ccccc4[nH]3)c3cc4ccccc4[nH]3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.53
AOC3 Q16853 2/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
KMT2A Q03164 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
FLT3 P36888 1/20 0.47
CYP2A6 P11509 1/20 0.47

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
SCHEMBL14694209 0.84 AOC3 (0.56) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL7022968 0.84 AHR (0.51) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL30435112 0.82 AHR (0.50) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL30145 0.82 KDM4E (0.56) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL30063522 0.82 KDM4E (0.56) AHRAOC3NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7485650 0.82 KDM4E (0.56) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL1685392 0.82 AHR (0.50) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL3294441 0.82 AHR (0.50) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL399327 0.82 AHR (0.50) AHRAOC3NPC1RAB9AKDM4E
SCHEMBL30512336 0.82 AHR (0.50) AHRAOC3NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232052-A Tetraindolylmethane compound and preparation method and application thereof 南京工业大学 2022-10-25 CN claimed
CN-115232052-A Tetraindolylmethane compound and preparation method and application thereof 南京工业大学 2022-10-25 CN disclosed
CN-115232052-A Tetraindolylmethane compound and preparation method and application thereof 南京工业大学 2022-10-25 CN disclosed
CN-115232052-A Tetraindolylmethane compound and preparation method and application thereof 南京工业大学 2022-10-25 CN disclosed