SCHEMBL8340220

SCHEMBL8340220

COc1ccc(-c2cc(OCCBr)cc(C)c2C(=O)c2csc3ccccc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.41
PIN1 Q13526 2/20 0.40
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR1A P08908 2/20 0.36
GRM2 Q14416 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 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
SCHEMBL8336090 0.92 MAPT (0.39) PRKCZPIN1MAPTKDM4EMEN1
SCHEMBL8340639 0.88 CNR2 (0.41) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8336646 0.88 CNR2 (0.35) PRKCZMAPTCYP1A2CYP2C19HTR1A
SCHEMBL8334344 0.86 MAPT (0.38) MAPTKDM4EMEN1CYP1A2CYP2D6
SCHEMBL8339556 0.86 MAPT (0.38) PIN1MAPTKDM4EMEN1CYP1A2
SCHEMBL8339168 0.86 MCL1 (0.38) MAPTCYP1A2CYP2C19
SCHEMBL8338716 0.86 HTR1A (0.40) PIN1MAPTKDM4EMEN1CYP1A2
SCHEMBL8335086 0.85 CNR2 (0.36) MAPTCYP1A2CYP2C19HTR1AERN1
SCHEMBL8341645 0.85 TUBB4A (0.40) PIN1MAPTKDM4EMEN1CYP1A2
SCHEMBL8339938 0.85 PRKCZ (0.40) PRKCZPIN1MAPTKDM4EMEN1

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