SCHEMBL16167911

SCHEMBL16167911

CCC(C)(C)c1cnc(-c2ncc(C(C)C)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CDK5 Q00535 3/20 0.36
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ FDPS P14324 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNH P51946 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
SCHEMBL22314659 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL26859096 0.70 HCAR2 (0.35) —
SCHEMBL14309114 0.70 — —
SCHEMBL17538765 0.68 SLC6A3 (0.35) —
SCHEMBL22736793 0.68 NOS1 (0.43) CDK2ALDH1A1SMN1; SMN2
SCHEMBL12573555 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18895888 0.67 — —
SCHEMBL12737784 0.66 PDPK1 (0.32) CDK2
SCHEMBL20932946 0.66 MLYCD (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13754630 0.66 CCNE1 (0.37) CCNE1CDK2CDK5FDPSCCNT1

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-8859714-B1 Polymeric semiconductors and related devices NORTHWESTERN UNIVERSITY (US) 2014-10-14 — — US disclosed
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