SCHEMBL11176133

SCHEMBL11176133

C=C(C)COc1nc(OCC2(C)CO2)nc(OCC2(C)CO2)n1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ MGMT P16455 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL11336515 1.00 CDK1 (0.30) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL11180579 0.81 — —
SCHEMBL2487338 0.80 CDK1 (0.39) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL11186016 0.77 — —
SCHEMBL11179420 0.77 MAPT (0.41) —
SCHEMBL11185316 0.77 MAPT (0.41) —
SCHEMBL11339363 0.72 — —
SCHEMBL11197621 0.71 CDK1 (0.37) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL11178320 0.70 ALDH1A1 (0.41) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL18318014 0.70 ALDH1A1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369207-A PHOTOPOLYMERIZING TEIJIN LIMITED (JP) 1983-01-18 — — US claimed
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