SCHEMBL3570656

SCHEMBL3570656

CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cc(Cl)cc(I)c2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
ESRRG P62508 4/20 0.38
C5AR1 P21730 1/20 0.37
BCL2 P10415 1/20 0.37
MCHR1 Q99705 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ESRRB O95718 2/20 0.35
RCE1 Q9Y256 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NLRP3 Q96P20 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL12520898 0.81 TP53 (0.53) TP53MAPTESRRGC5AR1BCL2
SCHEMBL3574025 0.79 C5AR1 (0.46) TP53MAPTESRRGC5AR1CA12
SCHEMBL3581435 0.78 TP53 (0.41) TP53MAPTF2F10F7
SCHEMBL749564 0.78 TP53 (0.41) TP53MAPTF2F10F7
SCHEMBL12521008 0.77 TP53 (0.48) TP53MAPTESRRGBCL2MCHR1
SCHEMBL3585062 0.77 LMNA (0.40) C5AR1LMNAGAALPAR1LPAR5
SCHEMBL12520957 0.77 TP53 (0.43) TP53MAPTF2F10F7
SCHEMBL747155 0.77 TP53 (0.38) TP53MAPTF2F10F7
Hydrochloric Acid SCHEMBL748268 0.76 TP53 (0.38) TP53MAPTF2F10F7
SCHEMBL12521175 0.75 LPAR1 (0.41) TP53MAPTESRRGC5AR1BCL2

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed