SCHEMBL9003935

SCHEMBL9003935

Oc1cccc(C=CC[n+]2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.50
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
FBP1 P09467 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7994352 0.80 RAB9A (0.47)
SCHEMBL7994346 0.80 RAB9A (0.47)
Iodide SCHEMBL8910696 0.78 CHRNA7 (0.49)
SCHEMBL3179626 0.74 LCK (0.61) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL3179633 0.74 LCK (0.61) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL31031626 0.74 LCK (0.61) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL13338339 0.73 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL2512334 0.73 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL2512336 0.73 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL16956970 0.73 LCK (0.59) LCKCCNB2CDK1CDK4CCNB1

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
US-5521316-A FREE-FLOWING DUSTLESS POWDER FOR AGRICULTURE CYTEC TECHNOLOGY CORP. (US) 1996-05-28 US disclosed