SCHEMBL6939698

SCHEMBL6939698

C=CCSc1ccc(OCCCC)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
ACACB O00763 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.33
SOAT1 P35610 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6940552 0.96 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6938648 0.93 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6937102 0.86 RAB9A (0.40) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6940340 0.84 L3MBTL1 (0.36) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6937541 0.83 HTR7 (0.38) KDM4EMEN1KMT2A
SCHEMBL6940557 0.83 ACACB (0.40) NPC1RAB9AMAPTSMN1; SMN2HPGD
Dimethylamine SCHEMBL6937545 0.82 RAB9A (0.38) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6939446 0.81 ALDH1A1 (0.38) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL4273729 0.77 RAB9A (0.56) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL6940408 0.76 ACACB (0.36) NPC1RAB9ASMN1; SMN2HPGDTP53

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