SCHEMBL23752146

SCHEMBL23752146

O=C(S)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 5/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
EPHX1 P07099 2/20 0.52
NLRP3 Q96P20 2/20 0.52
NLRP1 Q9C000 1/20 0.52
GAA P10253 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
EPHX2 P34913 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL4741253 0.80 MEN1 (0.76) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL21568080 0.80 NPC1 (0.67) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL11048619 0.80 MEN1 (0.76) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL2095180 0.78 NPC1 (0.64) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL1507740 0.78 NPC1 (0.64) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL3912100 0.78 NPC1 (0.64) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL31325146 0.77 ALDH1A1 (0.64) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL15691175 0.76 NPC1 (0.61) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL23752424 0.76 MEN1 (0.61) NPC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL22674771 0.76 SMN1; SMN2 (0.67) NPC1ALDH1A1TSHRMEN1KMT2A

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed