SCHEMBL8995883

SCHEMBL8995883

CC1(CCl)CC(SCc2ccccc2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARG P37231 2/20 0.33
NCOA2 Q15596 2/20 0.33
NCOA1 Q15788 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
EGFR P00533 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3382156 0.82 HSD17B10 (0.40) HTTHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL20855345 0.67 USP2 (0.41) HTTHPGDKDM4EL3MBTL1MAPT
SCHEMBL20855351 0.67 RAB9A (0.45) RAB9AALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4396806 0.63 NPC1 (0.41) HTTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL22911700 0.61
SCHEMBL24517811 0.61 TP53 (0.36) ALDH1A1LMNAGAAMAPT
SCHEMBL11163932 0.57 ALDH1A1 (0.49) HSD17B10RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL938514 0.57
SCHEMBL367099 0.57 POLB (0.56) HSD17B10RAB9ASMN1; SMN2NPSR1L3MBTL1
SCHEMBL9442103 0.57 POLB (0.50) HSD17B10RAB9AALDH1A1SMN1; SMN2L3MBTL1

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
JP-8225548-A None JP disclosed
JP-H08225548-A HERBICIDAL ISOXAZOLINE DERIVATIVE SANKYO CO LTD 1996-09-03 JP disclosed