SCHEMBL21376536

SCHEMBL21376536

O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([S+]([O-])N2CCCc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
NAMPT P43490 2/20 0.56
LMNA P02545 3/20 0.55
PHGDH O43175 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
SCD O00767 1/20 0.53
ALDH1A1 P00352 2/20 0.53
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL21909747 0.89 NPC1 (0.57) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL26835068 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NAMPTLMNAPHGDHMEN1
SCHEMBL663770 0.81 SMN1; SMN2 (0.90) SMN1; SMN2NAMPTLMNAPHGDHMEN1
SCHEMBL29978651 0.81 SMN1; SMN2 (0.90) SMN1; SMN2NAMPTLMNAPHGDHMEN1
SCHEMBL21376507 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NAMPTLMNAPHGDHMEN1
SCHEMBL21376351 0.78 LMNA (0.50) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL21376606 0.77 NR2F2 (0.48) SMN1; SMN2NAMPTMEN1KMT2AKDM4E
SCHEMBL21376339 0.77 MAPT (0.56) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL21376342 0.76 MAPT (0.70) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL21376333 0.76 NPC1 (0.57) SMN1; SMN2LMNAMEN1KMT2AMAPT

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
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