SCHEMBL8094229

SCHEMBL8094229

C=CCSc1ccnnc1OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 6/20 0.32
NPC1 O15118 4/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
FGFR1 P11362 1/20 0.30
PKM P14618 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL7073692 0.74 MEN1 (0.38) ALDH1A1TSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL6939159 0.68 MAPT (0.42) ALDH1A1TSHRL3MBTL1HPGDMAPT
SCHEMBL6937102 0.66 RAB9A (0.40) ALDH1A1TSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL6937570 0.66 ALDH1A1 (0.41) ALDH1A1TSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL11881040 0.64 NQO1 (0.52) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
Dimethylamine SCHEMBL6937545 0.63 RAB9A (0.38) ALDH1A1TSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL11666474 0.62 MEN1 (0.38) ALDH1A1TSHRL3MBTL1SMN1; SMN2HPGD
SCHEMBL6937153 0.62 ALDH1A1 (0.33) ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL9256751 0.61 ALDH1A1 (0.36) ALDH1A1TSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL5792102 0.61 SMN1; SMN2 (0.41) ALDH1A1TSHRRAB9AL3MBTL1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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