SCHEMBL28779160

SCHEMBL28779160

O=S(=O)(Nc1ccccc1)OCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNA3 P22001 1/20 0.45
PGR P06401 1/20 0.44
PKM P14618 2/20 0.43
AR P10275 4/20 0.43
HPGD P15428 2/20 0.43
CACNA1B Q00975 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL9451229 0.81 HTR1B (0.52) RAB9ANPC1SMN1; SMN2TSHRKCNA3
SCHEMBL11868146 0.79 KEAP1 (0.47) SMN1; SMN2PGRPKMARMAPT
SCHEMBL24360927 0.78 MEN1 (0.49) RAB9ANPC1SMN1; SMN2TSHRKCNA3
SCHEMBL1607270 0.77 KCNA3 (0.56) RAB9ANPC1SMN1; SMN2TSHRKCNA3
SCHEMBL18195896 0.74 KCNA3 (0.40) RAB9ANPC1SMN1; SMN2TSHRKCNA3
SCHEMBL675156 0.74 KEAP1 (0.52) RAB9ANPC1SMN1; SMN2PGRPKM
SCHEMBL9451235 0.74 CA1 (0.58) KCNA3TAAR1
SCHEMBL1253674 0.74 PKM (0.53) RAB9ANPC1SMN1; SMN2TSHRKCNA3
SCHEMBL7976554 0.74 KCNA3 (0.52) RAB9AKCNA3PKMMAPTMEN1
SCHEMBL1729178 0.74 KMT2A (0.53) PGRPKMHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107686440-B Preparation method of m-trifluoromethylphenol 辽宁天予化工有限公司 2022-07-08 CN disclosed