SCHEMBL10714249

SCHEMBL10714249

OCC(O)C=Cc1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTH P32929 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ AHCY P23526 1/20 0.31

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
SCHEMBL10714244 1.00 RAB9A (0.45) RAB9AKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10714252 1.00 RAB9A (0.45) RAB9AKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15871027 0.73 RAB9A (0.63) RAB9AKMT2AKDM4ECTHPOLB
SCHEMBL16597642 0.73 RAB9A (0.63) RAB9AKMT2AKDM4ECTHPOLB
SCHEMBL25296107 0.73 RAB9A (0.50) RAB9AKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30547500 0.73 RAB9A (0.50) RAB9AKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL31205897 0.73 RAB9A (0.50) RAB9AKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14529436 0.69 RAB9A (0.39) RAB9AKMT2ACTH
SCHEMBL7072355 0.68 — —
SCHEMBL1491028 0.68 — —

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-4638005-A ELECTRON CARRIERS IN THE PHOTOENZYMATIC PRODUCTION OF HYDROGEN AND AMMONIA THE COCA-COLA COMPANY 1987-01-20 — — US disclosed
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