SCHEMBL12495409

SCHEMBL12495409

Nc1nc(-c2ccc(Cl)cc2)c(Br)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
MYC P01106 2/20 0.54
WDR5 P61964 2/20 0.54
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
GBA1 P04062 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL2315152 0.81 MYC (0.54) HTTMYCWDR5MAPTMEN1
SCHEMBL1256622 0.81 MAPT (0.63) HTTMAPTMEN1KMT2AALOX15
SCHEMBL31311233 0.80 MPL (0.50) HTTMYCWDR5MAPTMEN1
SCHEMBL12495322 0.80 RORB (0.53) MYCWDR5MAPTMEN1KMT2A
SCHEMBL2186314 0.80 MAPT (0.49) HTTMYCWDR5MAPTMEN1
SCHEMBL12490383 0.79 MAPT (0.53) HTTMYCWDR5MAPTMEN1
SCHEMBL1802030 0.78 SMN1; SMN2 (0.65) HTTMYCWDR5MAPTMEN1
SCHEMBL28651159 0.77 MPL (0.50) HTTMYCWDR5MAPTMEN1
SCHEMBL19638079 0.77 MYC (0.57) MYCWDR5MAPTMEN1KMT2A
SCHEMBL17396363 0.77 MAPT (0.51) MYCWDR5MAPTMEN1KMT2A

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
CN-109293652-B Substituted thiazole derivative and application thereof 四川科伦博泰生物医药股份有限公司 2021-10-22 CN disclosed
WO-2012100734-A1 COMPOUNDS USEFUL AS RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed