SCHEMBL28301062

SCHEMBL28301062

CNCCNCC=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 3/20 0.42
MAOB P27338 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL11597360 0.90 PRMT1 (0.55) PRMT1RAB9AKDM4EALDH1A1HTR2A
SCHEMBL11597357 0.90 PRMT1 (0.55) PRMT1RAB9AKDM4EALDH1A1HTR2A
SCHEMBL25597192 0.84 FLT3 (0.39) PRMT1RAB9AALDH1A1CHRNB2CHRNB4
SCHEMBL3299029 0.83 RAB9A (0.50) PRMT1RAB9AKDM4EALDH1A1HTR2A
SCHEMBL3299030 0.83 RAB9A (0.50) PRMT1RAB9AKDM4EALDH1A1HTR2A
SCHEMBL2189821 0.82 KDM4E (0.52) RAB9AKDM4EMEN1KMT2AHTR2A
SCHEMBL17066108 0.82 KDM4E (0.52) RAB9AKDM4EMEN1KMT2AHTR2A
SCHEMBL1930698 0.82 KDM4E (0.52) RAB9AKDM4EMEN1KMT2AHTR2A
SCHEMBL14275030 0.82 KDM4E (0.52) PRMT1RAB9AKDM4EALDH1A1HTR2A
SCHEMBL2770961 0.82 KDM4E (0.55) PRMT1RAB9AKDM4EALDH1A1HTR2A

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-110945076-B Transmembrane pH-gradient polymer vesicles for quantification of ammonia in body fluids 苏黎士联邦理工大学 2023-10-17 CN disclosed
CN-109803685-A Transmembrane pH-gradient polymersome and use thereof for scavenging ammonia and methylated analogs of ammonia 瑞士苏黎世联邦理工学院 2019-05-24 CN disclosed