SCHEMBL28080659

SCHEMBL28080659

FC(F)=C1CC=Cc2ncc3ccccc3c21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
AKT1 P31749 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
SCHEMBL378548 0.78 KDM4E (0.39) KDM4EGPR3AKT1
SCHEMBL28262113 0.78 KDM4E (0.39) KDM4EGPR3AKT1
SCHEMBL29176096 0.77 KDM4E (0.38) KDM4EGPR3AKT1
SCHEMBL28080700 0.77 KDM4E (0.38) KDM4EGPR3AKT1
SCHEMBL27619154 0.77 KDM4E (0.38) KDM4EGPR3AKT1
SCHEMBL27619538 0.77 KDM4E (0.38) KDM4EGPR3AKT1
SCHEMBL28258357 0.73 KDM4E (0.35) KDM4EGPR3AKT1
SCHEMBL31277019 0.70 ALDH1A1 (0.38) KDM4EGPR3AKT1
SCHEMBL27971102 0.70 ALDH1A1 (0.33) KDM4EGPR3
SCHEMBL15994595 0.68 TDP1 (0.39) KDM4EGPR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859621-A Difluoromethylene phenanthridine derivative and preparation method thereof 上海大学 2016-08-17 CN disclosed
CN-105859621-A Difluoromethylene phenanthridine derivative and preparation method thereof 上海大学 2016-08-17 CN disclosed