SCHEMBL31078221

SCHEMBL31078221

O=S(=O)(O)CCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.54
MTNR1A P48039 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA2 P00918 1/20 0.49
ACP3 P15309 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
MCL1 Q07820 2/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL497025 1.00 NQO2 (0.54) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL31359145 0.89 NQO2 (0.51) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL5937268 0.89 NQO2 (0.51) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL11800503 0.88 NQO2 (0.50) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL11788148 0.86 NQO2 (0.49) NQO2MTNR1ATDP1CA2ACP3
Ammonia Solution, Strong SCHEMBL11668882 0.85 NQO2 (0.48) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL40373 0.82 TDP1 (0.55) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL6511791 0.81 NQO2 (0.54) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL5609972 0.81 NQO2 (0.63) NQO2MTNR1ATDP1CA2ACP3
SCHEMBL5513121 0.81 CA2 (0.57) NQO2MTNR1ATDP1CA2ACP3

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-119656321-A Therapeutic compositions 温特穆特生物医学公司 2025-03-21 CN disclosed
CN-113164420-B Therapeutic compositions 温特穆特生物医学公司 2025-01-03 CN disclosed
CN-118636537-A Nonwoven fiber web composite inorganic board and preparation method thereof 北新集团建材股份有限公司 2024-09-13 CN disclosed
CN-118596657-A Sandwich fiber net composite inorganic board and preparation method thereof 北新集团建材股份有限公司 2024-09-06 CN disclosed