SCHEMBL6937541

SCHEMBL6937541

C=CCSc1ccc(OCCN(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.38
HTR6 P50406 1/20 0.34
HTR1B P28222 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
LTA4H P09960 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 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) KDM4EMEN1KMT2A
SCHEMBL6939698 0.83 NPC1 (0.44) KDM4EMEN1KMT2A
SCHEMBL6940552 0.82 NPC1 (0.41) KDM4EMEN1KMT2A
SCHEMBL6940340 0.81 L3MBTL1 (0.36) KDM4EMEN1KMT2A
SCHEMBL6937102 0.81 RAB9A (0.40) KDM4EMEN1KMT2A
SCHEMBL6940557 0.81 ACACB (0.40) MEN1KMT2A
SCHEMBL6939446 0.79 ALDH1A1 (0.38) KDM4EMEN1KMT2A
Dimethylamine SCHEMBL6937545 0.77 RAB9A (0.38) KDM4EMEN1KMT2A
SCHEMBL6940408 0.74 ACACB (0.36) MEN1KMT2A
SCHEMBL6942005 0.74 RAB9A (0.33)

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