SCHEMBL4612209

SCHEMBL4612209

CCOC(=O)CCNc1ccc(Cl)cc1C(=O)N(CCc1cc(F)c(F)c(C)c1F)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.34
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SERPINE1 P05121 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
F2 P00734 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NLRP3 Q96P20 1/20 0.30
MDM2 Q00987 1/20 0.30
ESRRG P62508 2/20 0.30
ESRRB O95718 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL3580187 0.83 LMNA (0.37) F10LMNAALDH1A1LPAR1SMN1; SMN2
SCHEMBL3581435 0.75 TP53 (0.41) F10LMNASERPINE1LPAR1F2
SCHEMBL9958710 0.75 LPAR1 (0.38) ALDH1A1LPAR1LPAR2F2SMN1; SMN2
SCHEMBL3581531 0.74 C5AR1 (0.43) F10LMNAALDH1A1SERPINE1LPAR1
SCHEMBL4611556 0.74 KMT2A (0.35) LMNALPAR1MAPTHSP90AA1ESRRG
SCHEMBL3576346 0.73 CNR1 (0.38) F10LPAR1LPAR2MAPTCNR1
SCHEMBL3583318 0.72 HSPH1 (0.44) LMNALPAR1SMN1; SMN2CNR1
SCHEMBL3583634 0.72 SERPINE1 (0.39) LMNAALDH1A1SERPINE1MAPTSMN1; SMN2
SCHEMBL3584396 0.71 C5AR1 (0.44) F10LMNAALDH1A1SERPINE1LPAR1
SCHEMBL3571600 0.70 LMNA (0.42) LMNASERPINE1LPAR1SMN1; SMN2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed