SCHEMBL28516987

SCHEMBL28516987

Cc1ccccc1-c1cc(-c2ccccc2)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL28514744 0.88 HTR7 (0.41) ENPP3ENPP1CYP11B1CYP11B2HPGD
SCHEMBL28510819 0.81 RAB9A (0.46) CYP11B1CYP11B2HPGDALDH1A1RAB9A
SCHEMBL28504247 0.79 NPC1 (0.51) CYP11B1CYP11B2HPGDALDH1A1RAB9A
SCHEMBL28506806 0.79 NPC1 (0.51) CYP11B1CYP11B2HPGDALDH1A1RAB9A
SCHEMBL28502050 0.77 RAB9A (0.45) ENPP3CYP11B1CYP11B2HPGDALDH1A1
SCHEMBL28501588 0.75 NPC1 (0.51) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28906122 0.75 NPC1 (0.51) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28506057 0.75 RAB9A (0.46) CYP11B1CYP11B2HPGDALDH1A1RAB9A
SCHEMBL28557865 0.75 MEN1 (0.41) CYP11B1CYP11B2HPGDALDH1A1RAB9A
SCHEMBL12600997 0.75 CYP11B1 (0.47) CYP11B1CYP11B2HPGDALDH1A1RAB9A

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
CN-112159364-B Synthetic method of isothiazole derivative 温州大学 2022-06-24 CN disclosed
CN-112159364-A Synthetic method of isothiazole derivative 温州大学 2021-01-01 CN disclosed