SCHEMBL4024780

SCHEMBL4024780

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2F)CN(CCNS(C)(=O)=O)C[C@@H]1C(=O)c1cccc(O)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KDM1A O60341 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HTR4 Q13639 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.31
SRC P12931 2/20 0.30
LMNA P02545 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
SCHEMBL4028177 0.90 CARM1 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL4028135 0.88
SCHEMBL4019728 0.86 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL4027811 0.84 KDM1A (0.34) KDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL13721491 0.83 KDM4E (0.34) KDM4EMAPTPKMKDM1AHTR4
SCHEMBL4024718 0.83 KDM4E (0.34) KDM4EMAPTPKMKDM1AHTR4
SCHEMBL4021154 0.83 KDM4E (0.34) KDM4EMAPTPKMKDM1AHTR4
SCHEMBL4029054 0.83 KDM2B (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL4021684 0.81 KDM2B (0.38) CYP2C9
SCHEMBL4749430 0.80 KIF11 (0.35) KDM4ETAS1R3TAS1R1TAS1R2

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed