SCHEMBL533119

SCHEMBL533119

Cc1cc(C)c(N2Cc3ccccc3C2)c(C)c1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.48
APOB P04114 9/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
KLRK1 P26718 2/20 0.42
MICA Q29983 2/20 0.42
RAET1L Q5VY80 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
SCHEMBL5111860 0.90 MTTP (0.40) MTTPAPOBKDM4EALDH1A1KMT2A
SCHEMBL14288688 0.89 MTTP (0.52) MTTPAPOBKDM4EALDH1A1GAA
SCHEMBL8318404 0.89 L3MBTL1 (0.42) ALDH1A1GAALMNAMAPTSMN1; SMN2
SCHEMBL532902 0.78 L3MBTL1 (0.43) MTTPKDM4EALDH1A1GAALMNA
SCHEMBL8320252 0.78 ALDH1A1 (0.46) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL532826 0.77 ALDH1A1 (0.47) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL532809 0.77 ALDH1A1 (0.46) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL533307 0.76 F10 (0.43) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL6809331 0.75 MTTP (0.46) MTTPAPOBKDM4EGAAKLRK1
SCHEMBL533138 0.75 NPC1 (0.46) KDM4EALDH1A1LMNAMAPTHPGD

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 3 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