SCHEMBL10367708

SCHEMBL10367708

COC(=O)C1=CNCCS1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 2/20 0.31
POLB P06746 2/20 0.31
CYP2C19 P33261 2/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL10367367 0.74 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL6986172 0.71
SCHEMBL10366235 0.68 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10LMNATDP1
SCHEMBL10829313 0.66 LMNA (0.40) LMNACA1CA2NPC1RAB9A
SCHEMBL6729729 0.65 CHRM3 (0.38) CHRM3TSHRALDH1A1HSD17B10LMNA
SCHEMBL27647692 0.64 CHRM3 (0.44) CHRM3TSHRLMNATDP1CA12
SCHEMBL4922594 0.64 CHRM3 (0.44) CHRM3TSHRALDH1A1HSD17B10TDP1
SCHEMBL22226391 0.64 ALDH1A1 (0.51) ALDH1A1HSD17B10LMNAKDM4EALOX15
SCHEMBL6994905 0.64 KDM4E (0.39) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL10368421 0.64 CES2 (0.42) TSHRALDH1A1ALOX15TDP1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166697-B1 AROYL SUBSTITUTED DIHYDRO-1,4-THIAZINES CIBA-GEIGY AG (CH) 1990-05-09 EP disclosed
EP-0166697-A2 Aroyl substituted dihydro-1,4-thiazines CIBA-GEIGY AG (CH) 1986-01-02 EP disclosed