SCHEMBL7723045

SCHEMBL7723045

Cn1nc(-c2ccc(Cl)cc2)cc1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NOTUM Q6P988 1/20 0.41
ALOX12 P18054 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL14694258 0.81 MAPT (0.49) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL2411656 0.79 MEN1 (0.58) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL14091695 0.79 NPC1 (0.54) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL31696760 0.78 MAPT (0.47) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL1716280 0.78 MAPT (0.50) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL19203749 0.75 MAPT (0.48) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL14035666 0.75 MAPT (0.48) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL14008869 0.75 MAPT (0.45) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL4677894 0.75 MAPT (0.58) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL9081963 0.75 KMO (0.40)

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
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed