SCHEMBL28604121

SCHEMBL28604121

C=CCc1nccn1C.CCCCOS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
FDPS P14324 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
PDE5A O76074 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
HTT P42858 1/20 0.30
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL28257458 0.83 MEN1 (0.40) KMT2AMEN1FDPSTSHRALDH1A1
SCHEMBL27895209 0.83 MEN1 (0.40) KMT2AMEN1FDPSTSHRALDH1A1
Sulfuric Acid SCHEMBL27895211 0.83 FDPS (0.43) KMT2AMEN1FDPSTSHRHTT
SCHEMBL28601756 0.82 CYP1A2 (0.35) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL28097557 0.81 CA1 (0.37) KMT2AMEN1FDPSCYP1A2CYP3A4
SCHEMBL173394 0.77
Bromide SCHEMBL27924357 0.75 MEN1 (0.41) KMT2AMEN1FDPSTSHRHTT
Hydrochloric Acid SCHEMBL5446819 0.75 MEN1 (0.41) KMT2AMEN1FDPSTSHRHTT
SCHEMBL38662529 0.74 ALDH1A1 (0.42) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
Acetic Acid SCHEMBL457852 0.74 FDPS (0.43) KMT2AMEN1FDPSTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113130992-B Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2022-09-23 CN claimed
CN-113130992-A Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2021-07-16 CN claimed
CN-113130992-B Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2022-09-23 CN disclosed
CN-113130992-A Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2021-07-16 CN disclosed