SCHEMBL6940340

SCHEMBL6940340

C=CCSc1ccc(OCCO)nn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
RAB9A P51151 3/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 4/20 0.31
PKM P14618 2/20 0.30
RECQL P46063 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6938648 0.85 RAB9A (0.42) L3MBTL1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL6939698 0.84 NPC1 (0.44) L3MBTL1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL6940552 0.82 NPC1 (0.41) L3MBTL1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL6937102 0.81 RAB9A (0.40) L3MBTL1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL6937541 0.81 HTR7 (0.38) KMT2AMEN1KDM4E
SCHEMBL6940557 0.81 ACACB (0.40) L3MBTL1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL6939446 0.79 ALDH1A1 (0.38) L3MBTL1SMN1; SMN2NPC1MAPTHPGD
Dimethylamine SCHEMBL6937545 0.78 RAB9A (0.38) L3MBTL1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL6940074 0.77 LMNA (0.40) L3MBTL1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6940408 0.74 ACACB (0.36) L3MBTL1SMN1; SMN2NPC1HPGDRAB9A

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