SCHEMBL9683647

SCHEMBL9683647

C=C(C)COc1nc(OCC(=C)C)nc(SCC(=C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 5/20 0.35
▸ POLB P06746 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ MGMT P16455 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL2487338 0.84 CDK1 (0.39) LMNAALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL11197621 0.75 CDK1 (0.37) LMNAL3MBTL1SMN1; SMN2HTTCDK1
SCHEMBL11184649 0.73 CDK1 (0.36) LMNAL3MBTL1POLBSMN1; SMN2HTT
SCHEMBL11188636 0.73 CDK1 (0.36) LMNAL3MBTL1POLBSMN1; SMN2HTT
SCHEMBL11183310 0.73 HTT (0.35) LMNAALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL4654620 0.72 CDK1 (0.35) LMNAALDH1A1HPGDHTTCDK1
SCHEMBL21095398 0.72 RAB9A (0.44) RAB9ALMNANPC1ALDH1A1L3MBTL1
SCHEMBL23037265 0.71 CDK1 (0.47) LMNAALDH1A1HPGDPOLBHTT
SCHEMBL18318014 0.67 ALDH1A1 (0.41) LMNAALDH1A1HPGDSMN1; SMN2CDK1
SCHEMBL11336515 0.67 CDK1 (0.30) CDK1CCNB1MGMTCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992010471-A1 NEW SULPHUROUS COMPOUNDS AND NEW POLYMERS OBTAINED THEREFROM RHONE-POULENC CHIMIE (FR) 1992-06-25 — — WO claimed
WO-1992010472-A2 NEW SULPHUROUS COMPOUNDS AND NEW POLYMERS OBTAINED THEREFROM RHONE-POULENC CHIMIE (FR) 1992-06-25 — — WO claimed
EP-0490777-A1 Sulphur compounds and polymers obtained therefrom RHONE-POULENC CHIMIE (FR) 1992-06-17 — — EP claimed
EP-0490778-A1 Sulphur compounds and polymers obtained therefrom RHONE-POULENC CHIMIE (FR) 1992-06-17 — — EP claimed
WO-1992010471-A1 NEW SULPHUROUS COMPOUNDS AND NEW POLYMERS OBTAINED THEREFROM RHONE-POULENC CHIMIE (FR) 1992-06-25 — — WO disclosed
WO-1992010472-A2 NEW SULPHUROUS COMPOUNDS AND NEW POLYMERS OBTAINED THEREFROM RHONE-POULENC CHIMIE (FR) 1992-06-25 — — WO disclosed
EP-0490777-A1 Sulphur compounds and polymers obtained therefrom RHONE-POULENC CHIMIE (FR) 1992-06-17 — — EP disclosed
EP-0490778-A1 Sulphur compounds and polymers obtained therefrom RHONE-POULENC CHIMIE (FR) 1992-06-17 — — EP disclosed
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