SCHEMBL6939766

SCHEMBL6939766

C=CCSc1nnc(OC)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6937570 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTNPC1TP53
SCHEMBL6935201 0.75 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTNPC1TP53
SCHEMBL6937349 0.74 L3MBTL1 (0.35) ALDH1A1NPSR1L3MBTL1TSHRMAPK1
SCHEMBL6939406 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTNPSR1NPC1
SCHEMBL6939159 0.63 MAPT (0.42) ALDH1A1MAPTNPSR1TP53HPGD
SCHEMBL6939446 0.60 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTNPC1TP53
SCHEMBL4387705 0.59 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2NPSR1TP53RAB9A
SCHEMBL6937873 0.58 CYP1A2 (0.36) ALDH1A1
SCHEMBL11592791 0.57 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2MAPTNPSR1NPC1
SCHEMBL6809108 0.56 CYP1A2 (0.50) ALDH1A1SMN1; SMN2NPSR1NPC1RAB9A

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 4 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
EP-1058681-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME Seoul Pharm. Co., Ltd. (KR) 2000-12-13 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed
WO-1999036407-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM. CO., LTD. (KR) 1999-07-22 WO disclosed