SCHEMBL6937570

SCHEMBL6937570

C=CCSc1nnc(OCC)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6939766 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRL3MBTL1RAB9A
SCHEMBL6939159 0.76 MAPT (0.42) ALDH1A1TSHRL3MBTL1MAPTHPGD
SCHEMBL6935201 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRL3MBTL1RAB9A
SCHEMBL8094229 0.66 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRL3MBTL1RAB9A
SCHEMBL12986293 0.64 CA12 (0.32) TSHR
SCHEMBL6935588 0.64 CYP1A2 (0.35) ALDH1A1MAPTHPGD
SCHEMBL6937349 0.62 L3MBTL1 (0.35) ALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL6939406 0.62 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL6937102 0.61 RAB9A (0.40) ALDH1A1SMN1; SMN2TSHRL3MBTL1RAB9A
SCHEMBL4387705 0.61 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TSHRL3MBTL1RAB9A

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-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed