SCHEMBL534054

SCHEMBL534054

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
MCHR1 Q99705 2/20 0.44
HTR2C P28335 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL532849 0.93 SMN1; SMN2 (0.49) LMNASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL534049 0.91 SCN9A (0.47) SMN1; SMN2ALDH1A1POLBMAPK1KMT2A
SCHEMBL532995 0.88 NPC1 (0.54) LMNASMN1; SMN2ALDH1A1POLBMAPK1
SCHEMBL532794 0.86 POLB (0.45) LMNASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL533966 0.85 POLB (0.44) LMNASMN1; SMN2ALDH1A1POLBMAPK1
SCHEMBL532967 0.85 RAB9A (0.57) LMNASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL532826 0.84 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1POLBMAPK1
SCHEMBL533022 0.83 MEN1 (0.52) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL532809 0.83 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL533054 0.82 MAPT (0.45) LMNASMN1; SMN2ALDH1A1POLBMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed