SCHEMBL28613370

SCHEMBL28613370

CCSc1nc2ccccc2c(Nc2ccccc2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.49
SQOR Q9Y6N5 1/20 0.48
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.44
RAD52 P43351 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
STAT6 P42226 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL28618474 0.86 ALDH1A1 (0.50) KDM1AKDM4EKMT2AMAPTPOLB
SCHEMBL30437291 0.84 KDM4E (0.48) KDM1ASQORKDM4EKMT2AMAPT
SCHEMBL30435875 0.84 SMN1; SMN2 (0.45) KDM1ASQORKDM4EKMT2AMAPT
SCHEMBL30437010 0.84 KMT2A (0.61) KDM4EKMT2AMAPTPOLBNPSR1
SCHEMBL28609922 0.82 KMT2A (0.57) SQORKDM4EKMT2AMAPTPOLB
SCHEMBL28619180 0.76 KDM1A (0.50) KDM1AKDM4EKMT2AMAPTPOLB
SCHEMBL7689595 0.75 KDM1A (0.57) KDM1AKDM4EKMT2APOLBRAD52
SCHEMBL28611074 0.75 L3MBTL1 (0.48) KDM1AKDM4EKMT2AMAPTPOLB
SCHEMBL30436695 0.75 KDM4E (0.43) KDM1ASQORKDM4EKMT2AMAPT
SCHEMBL7999923 0.72 KDM1A (0.49) KDM1AKDM4EKMT2AMAPTPOLB

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-113135852-B Preparation method of 4-aminoquinoline compound 中国科学院长春应用化学研究所 2023-06-20 CN disclosed
CN-113135852-A Preparation method of 4-aminoquinoline compound 中国科学院长春应用化学研究所 2021-07-20 CN disclosed