SCHEMBL9866752

SCHEMBL9866752

C=CCCCCCCCCCOc1ncc(-c2cc[c]cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL9544988 0.82 MEN1 (0.42) SLC2A1CDK1CCNB1CCNA2CDK2
SCHEMBL9302214 0.80 KDM4E (0.40) L3MBTL1ALDH1A1
SCHEMBL9866799 0.80 KDM4E (0.40) L3MBTL1ALDH1A1
SCHEMBL8921802 0.80 KDM4E (0.40) L3MBTL1ALDH1A1
SCHEMBL9506242 0.78 RARB (0.47) L3MBTL1ALDH1A1
SCHEMBL6928402 0.76 ALDH1A1 (0.47) SLC2A1L3MBTL1LPAR3LPAR2ALDH1A1
SCHEMBL920629 0.76 ALDH1A1 (0.47) SLC2A1L3MBTL1LPAR3LPAR2ALDH1A1
SCHEMBL9153422 0.75 ACACB (0.31)
SCHEMBL9156201 0.74 LPAR3 (0.41) SLC2A1CDK1CCNB1CCNA2CDK2
SCHEMBL6950035 0.74 TSHR (0.41) L3MBTL1ALDH1A1

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-4988459-A Electrooptic switches or display HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed