SCHEMBL31060271

SCHEMBL31060271

c1ccc(Nc2nc(-c3cn[nH]c3)cs2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 1.00
KCNH2 Q12809 1/20 1.00
NPC1 O15118 16/20 0.69
RAB9A P51151 15/20 0.69
MEN1 O00255 11/20 0.69
KMT2A Q03164 11/20 0.69
SMN1; SMN2 Q16637 6/20 0.67
MAPT P10636 6/20 0.67
NFKB1 P19838 4/20 0.67
NFKB2 Q00653 4/20 0.67
RELA Q04206 4/20 0.67
TP53 P04637 3/20 0.67
MAPK1 P28482 3/20 0.67
LMNA P02545 2/20 0.67
TDP1 Q9NUW8 1/20 0.65
MECP2 P51608 1/20 0.63
KCNN1 Q92952 1/20 0.63
KCNN2 Q9H2S1 1/20 0.63
MBD2 Q9UBB5 1/20 0.63
KCNN3 Q9UGI6 1/20 0.63

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
SCHEMBL366994 1.00 GRM4 (1.00) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL371225 0.84 GRM4 (0.72) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL7552748 0.83 NPC1 (0.91) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL16217145 0.82 NPC1 (1.00) GRM4KCNH2NPC1RAB9AMEN1
Bromide SCHEMBL7669000 0.82 NPC1 (0.88) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL367354 0.81 GRM4 (0.68) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL368073 0.81 GRM4 (0.68) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL365863 0.81 NPC1 (0.68) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL12296219 0.81 NPC1 (1.00) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL18029575 0.80 NPC1 (0.94) GRM4KCNH2NPC1RAB9AMEN1

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed