SCHEMBL29175409

SCHEMBL29175409

CCOc1c(CS)cccc1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
BCHE P06276 4/20 0.43
RECQL P46063 1/20 0.43
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GSK3A P49840 1/20 0.41
HPGD P15428 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
SCHEMBL7559310 0.85 KMT2A (0.53) SMN1; SMN2KMT2AKDM4EALDH1A1TP53
SCHEMBL10527677 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AKDM4EALDH1A1ABCB1
SCHEMBL2518861 0.82 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AKDM4EALDH1A1TP53
SCHEMBL16953073 0.82 KMT2A (0.51) SMN1; SMN2KMT2AKDM4EALDH1A1TP53
SCHEMBL12844409 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1BCHE
SCHEMBL1254107 0.79 KMT2A (0.55) SMN1; SMN2KMT2AKDM4EALDH1A1BCHE
SCHEMBL1254108 0.79 TAAR1 (0.61) SMN1; SMN2KMT2AABCB1
SCHEMBL12775752 0.79 KMT2A (0.46) SMN1; SMN2KMT2AKDM4EALDH1A1TP53
SCHEMBL2525316 0.79 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AKDM4EALDH1A1GSK3A
SCHEMBL20551900 0.78 KMT2A (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1TP53

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-117587078-A Preparation method of apremilast drug intermediate 华中科技大学 2024-02-23 CN disclosed