SCHEMBL6942005

SCHEMBL6942005

C=CCSc1ccc(OC(C)(C)C)nn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 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
SCHEMBL6939446 0.83 ALDH1A1 (0.38) RAB9AALDH1A1L3MBTL1NPC1TP53
SCHEMBL6937102 0.79 RAB9A (0.40) RAB9AALDH1A1L3MBTL1NPC1TP53
SCHEMBL6940408 0.78 ACACB (0.36) RAB9AALDH1A1L3MBTL1NPC1TP53
SCHEMBL6938648 0.77 RAB9A (0.42) RAB9AALDH1A1L3MBTL1NPC1TP53
Dimethylamine SCHEMBL6937545 0.76 RAB9A (0.38) RAB9AALDH1A1L3MBTL1NPC1TP53
SCHEMBL6939698 0.76 NPC1 (0.44) RAB9AALDH1A1L3MBTL1NPC1TP53
SCHEMBL6935175 0.75 MEN1 (0.57) RAB9AALDH1A1L3MBTL1NPC1TP53
SCHEMBL6939695 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6940552 0.75 NPC1 (0.41) RAB9AALDH1A1L3MBTL1NPC1TP53
SCHEMBL6939920 0.74 BCAT2 (0.46) RAB9AALDH1A1L3MBTL1HPGDSMN1; SMN2

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