SCHEMBL29940628

SCHEMBL29940628

CCCCCCCCn1c(C)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 4/20 0.54
TSHR P16473 2/20 0.54
TLR8 Q9NR97 3/20 0.51
MAPT P10636 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL31022117 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL31022025 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11607923 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11605849 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11607968 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9275476 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10412457 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4212491 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10413247 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11153101 1.00 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459448-A 3, 3-Bis (N-alkyl-2-methylindole) phthalides and preparation method and application thereof 苏州韦恩斯生物科技有限公司 2024-08-09 CN claimed
CN-118459448-A 3, 3-Bis (N-alkyl-2-methylindole) phthalides and preparation method and application thereof 苏州韦恩斯生物科技有限公司 2024-08-09 CN disclosed
CN-112512828-B On-press developable lithographic printing plate precursor, method for producing lithographic printing plate, and lithographic printing method 富士胶片株式会社 2022-12-27 CN disclosed
CN-112512825-B On-press developable lithographic printing plate precursor, method for producing lithographic printing plate, and lithographic printing method 富士胶片株式会社 2022-10-25 CN disclosed
CN-112512826-B On-press developable lithographic printing plate precursor, method for producing lithographic printing plate, and lithographic printing method 富士胶片株式会社 2022-10-21 CN disclosed