SCHEMBL8339938

SCHEMBL8339938

COc1ccc(-c2cc(OCCBr)cc(C)c2C(=O)c2csc3ccccc23)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM2 Q14416 2/20 0.37
APP P05067 2/20 0.36
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
CACNA1C Q13936 1/20 0.35
GRM3 Q14832 1/20 0.35
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35

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
SCHEMBL8339826 0.90 KDM4E (0.42) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8335086 0.90 CNR2 (0.36) MAPTCYP1A2CYP2C19APPBCL2
SCHEMBL8336380 0.90 MAPT (0.38) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8340536 0.88 CNR2 (0.36) MAPTMEN1CYP1A2CYP2C19KMT2A
SCHEMBL8340639 0.88 CNR2 (0.41) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8334595 0.86 CNR2 (0.39) MAPTMEN1CYP1A2CYP2C19KMT2A
SCHEMBL8334344 0.86 MAPT (0.38) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8339556 0.86 MAPT (0.38) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8338716 0.85 HTR1A (0.40) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8340220 0.85 PRKCZ (0.41) PRKCZMAPTKDM4EMEN1CYP1A2

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-5948796-A OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed