SCHEMBL21376797

SCHEMBL21376797

CN(Sc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.60
▸ KDM4A O75164 4/20 0.57
▸ KDM4B O94953 4/20 0.57
▸ KDM5B Q9UGL1 4/20 0.57
▸ GRM1 Q13255 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM5C P41229 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ PPP1CA P62136 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL21376584 0.89 ADORA3 (0.70) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376917 0.86 GRM1 (0.76) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376508 0.85 ADORA3 (0.74) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL29978901 0.85 KDM4A (0.61) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL664229 0.85 KDM4A (0.61) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376529 0.84 ADORA3 (0.58) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376789 0.84 GRM1 (0.63) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376527 0.82 ADORA3 (0.67) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376512 0.79 ADORA3 (0.66) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL16291393 0.76 ADORA3 (0.83) ADORA3KDM4AKDM4BKDM5BGRM1

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
EP-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 — — EP disclosed
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 — — EP disclosed
Send feedback