SCHEMBL6940557

SCHEMBL6940557

C=CCSc1ccc(OCCC(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
TLR8 Q9NR97 1/20 0.32
MCHR1 Q99705 1/20 0.32

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 0.84 RAB9A (0.42) ACACBMEN1KMT2ANPC1RAB9A
SCHEMBL6939698 0.83 NPC1 (0.44) ACACBMEN1KMT2ANPC1RAB9A
SCHEMBL6940552 0.82 NPC1 (0.41) ACACBMEN1KMT2ANPC1RAB9A
SCHEMBL6940340 0.81 L3MBTL1 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6937102 0.81 RAB9A (0.40) ACACBMEN1KMT2AHTTNPC1
SCHEMBL6937541 0.81 HTR7 (0.38) MEN1KMT2A
SCHEMBL6940408 0.80 ACACB (0.36) ACACBMEN1KMT2ANPC1RAB9A
SCHEMBL6939446 0.79 ALDH1A1 (0.38) MEN1KMT2AHTTNPC1RAB9A
Dimethylamine SCHEMBL6937545 0.77 RAB9A (0.38) ACACBMEN1KMT2AHTTNPC1
SCHEMBL6939695 0.76 ALDH1A1 (0.32) GABRPGABRDGABRA1GABRB1GABRG2

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