SCHEMBL10467349

SCHEMBL10467349

CC1(C)OC1(C)Oc1ccc(S(=O)(=O)N=[N+]=[N-])cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ PKM P14618 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL1683275 0.76 F2 (0.54) F2PRSS1PRSS2PRSS3PKM
SCHEMBL26812 0.76 HTT (0.47) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL10823807 0.75 CA1 (0.43) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL10466739 0.72 PKM (0.32) F2PRSS1PRSS2PRSS3PKM
SCHEMBL14805176 0.72 CA12 (0.54) PKMCYP1A2MAPTLMNASMN1; SMN2
SCHEMBL10467347 0.71 — —
SCHEMBL22033289 0.71 HTT (0.42) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL137120 0.70 F2 (0.50) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL14805167 0.70 CA12 (0.34) F2PRSS1PRSS2PRSS3PKM
SCHEMBL14805165 0.70 CA12 (0.38) PKMMAPTLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4897144-A Foe silaceous material, metals, alloys, and epoxy reactive polymers HERCULES INCORPORATED (US) 1990-01-30 — — US disclosed
EP-0308860-A2 A new epoxy-azide HERCULES INCORPORATED (US) 1989-03-29 — — EP disclosed
US-4772733-A BONDING AGENT FOR POLYMER AND OTHER MATERIALS HERCULES INCORPORATED (US) 1988-09-20 — — US disclosed
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