SCHEMBL5111860

SCHEMBL5111860

Cc1cc(C)c(N2Cc3ccccc3C2)c(C)c1NC(=O)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTTP P55157 4/20 0.40
APOB P04114 4/20 0.40
TRPV4 Q9HBA0 4/20 0.39
FABP4 P15090 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC6A9 P48067 1/20 0.37
NTRK1 P04629 2/20 0.37
HDAC11 Q96DB2 1/20 0.37
FABP5 Q01469 1/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL533119 0.90 MTTP (0.48) MTTPAPOBKDM4EALDH1A1KMT2A
SCHEMBL14288688 0.81 MTTP (0.52) MTTPAPOBKDM4EALDH1A1KMT2A
SCHEMBL8318404 0.80 L3MBTL1 (0.42) NAMPTALDH1A1KMT2A
SCHEMBL533668 0.77 HDAC7 (0.43) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL532826 0.77 ALDH1A1 (0.47) KDM4EALDH1A1POLBTSHR
SCHEMBL6663843 0.76 NOTUM (0.44) MTTPAPOBTRPV4FABP4KDM4E
SCHEMBL532809 0.76 ALDH1A1 (0.46) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL6669985 0.76 PARP10 (0.40) MTTPAPOBFABP4NTRK1FABP5
SCHEMBL8320252 0.75 ALDH1A1 (0.46) KDM4EALDH1A1POLB
SCHEMBL532962 0.74 GAA (0.45) KDM4EPOLBKMT2A

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-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed