SCHEMBL6940074

SCHEMBL6940074

C=CCSc1ccc(OCc2ccccc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
APOBEC3G Q9HC16 1/20 0.36
NUDT1 P36639 1/20 0.35
ENPP2 Q13822 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6939920 0.79 BCAT2 (0.46) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL6937102 0.79 RAB9A (0.40) LMNAHTTL3MBTL1ALDH1A1MAPK1
SCHEMBL4274920 0.78 LMNA (0.55) LMNAHTTL3MBTL1ALDH1A1GAA
SCHEMBL6939446 0.77 ALDH1A1 (0.38) LMNAHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6940340 0.77 L3MBTL1 (0.36) LMNAL3MBTL1ALDH1A1MAPK1PKM
SCHEMBL6938648 0.77 RAB9A (0.42) LMNAL3MBTL1ALDH1A1MAPK1PKM
SCHEMBL6939698 0.75 NPC1 (0.44) LMNAL3MBTL1ALDH1A1MAPK1PKM
Dimethylamine SCHEMBL6937545 0.75 RAB9A (0.38) LMNAHTTL3MBTL1ALDH1A1GAA
SCHEMBL6940552 0.74 NPC1 (0.41) LMNAL3MBTL1ALDH1A1MAPK1PKM
SCHEMBL6940557 0.73 ACACB (0.40) LMNAHTTL3MBTL1ALDH1A1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147477-C Novel allylthiopyridazine derivative and process for producing the same ��ʽ���纺����ҩ 2004-04-28 CN disclosed
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