SCHEMBL28526442

SCHEMBL28526442

Cc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.68
CYP19A1 P11511 2/20 0.63
RAB9A P51151 3/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 2/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
ABL1 P00519 1/20 0.51

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
SCHEMBL26119873 0.85 MAPT (0.64) CYP19A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL19196715 0.85 CYP19A1 (0.67) SREBF2CYP19A1RAB9AKDM4ESMN1; SMN2
SCHEMBL19195871 0.84 SREBF2 (0.79) SREBF2CYP19A1RAB9AKDM4ESMN1; SMN2
SCHEMBL19195907 0.84 SREBF2 (0.79) SREBF2CYP19A1RAB9AKDM4ESMN1; SMN2
SCHEMBL28522859 0.83 RAB9A (0.73) SREBF2CYP19A1RAB9AKDM4ESMN1; SMN2
SCHEMBL28522962 0.81 CYP19A1 (0.66) SREBF2CYP19A1RAB9AKDM4ESMN1; SMN2
SCHEMBL14081497 0.81 SREBF2 (1.00) SREBF2CYP19A1RAB9AKDM4ESMN1; SMN2
SCHEMBL4280995 0.81 SREBF2 (1.00) SREBF2CYP19A1RAB9AKDM4ESMN1; SMN2
SCHEMBL7215184 0.81 KDM4E (0.73) CYP19A1RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL28327240 0.81 KDM4E (0.86) SREBF2RAB9AKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204507-B Process for producing 2-aryl-4-alkylthiazole compound 浙江大学 2021-03-02 CN disclosed