SCHEMBL6940408

SCHEMBL6940408

C=CCSc1ccc(OC(C)C)nn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6939695 0.87 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6939446 0.83 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL6940557 0.80 ACACB (0.40) ACACBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6937102 0.79 RAB9A (0.40) ACACBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6942005 0.78 RAB9A (0.33) ALDH1A1L3MBTL1NPC1TP53HPGD
SCHEMBL6938648 0.77 RAB9A (0.42) ACACBALDH1A1MEN1KMT2AL3MBTL1
Dimethylamine SCHEMBL6937545 0.76 RAB9A (0.38) ACACBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6939698 0.76 NPC1 (0.44) ACACBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6935175 0.75 MEN1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL6940552 0.75 NPC1 (0.41) ACACBALDH1A1MEN1KMT2AL3MBTL1

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