SCHEMBL7413797

SCHEMBL7413797

Fc1ccc(C(C=CCBr)c2ccc(F)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.34
TDO2 P48775 2/20 0.34
PTPN1 P18031 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
AOC3 Q16853 2/20 0.32
DPP4 P27487 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL4535245 0.78 HTR2A (0.36) DPP4
SCHEMBL10361924 0.75 ALDH1A1 (0.44) IDO1CA1CA2CA7CA9
SCHEMBL6981619 0.71 IDO1 (0.38) IDO1TDO2CA1CA2CA7
SCHEMBL2451125 0.67 NFE2L2 (0.50)
SCHEMBL3899639 0.67 NFE2L2 (0.50)
SCHEMBL3540663 0.66 IDO1 (0.41) IDO1TDO2CA1CA2CA7
SCHEMBL20187377 0.66 IDO1 (0.41) IDO1TDO2CA1CA2CA7
SCHEMBL10584516 0.65 AOC3 (0.39) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL2549442 0.64 IDO1 (0.39) IDO1TDO2PTPN1AOC3HDAC3
SCHEMBL7129754 0.63 IDO1 (0.48) IDO1TDO2PTPN1CA1CA2

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-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed