SCHEMBL3580080

SCHEMBL3580080

CNc1ccc(Cl)cc1C(=O)N(CCn1cc(Cl)c(C(F)(F)F)n1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.36
SERPINE1 P05121 1/20 0.35
CYP19A1 P11511 1/20 0.34
CCR9 P51686 4/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CCR2 P41597 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CCR1 P32246 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL3576392 0.86 HCRTR1 (0.38) SERPINE1CYP19A1CCR9LMNASMN1; SMN2
SCHEMBL3578962 0.85 CCR1 (0.37) KLKB1SERPINE1CCR9LMNASMN1; SMN2
SCHEMBL3577510 0.84 SERPINE1 (0.36) SERPINE1CYP19A1CCR9LMNASMN1; SMN2
SCHEMBL3582314 0.83 CCR9 (0.38) SERPINE1CYP19A1CCR9LMNASMN1; SMN2
SCHEMBL12520935 0.82 TRPM8 (0.37) KLKB1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3574965 0.82 ALDH1A1 (0.38) SERPINE1CCR9POLBCCR2KDM4E
SCHEMBL12520920 0.81 TRPM8 (0.39) KLKB1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3577474 0.81 CCR9 (0.35) SERPINE1CYP19A1CCR9LMNASMN1; SMN2
SCHEMBL3580852 0.80 SERPINE1 (0.36) SERPINE1CYP19A1CCR9LMNAMAPT
SCHEMBL3584396 0.78 C5AR1 (0.44) KLKB1SERPINE1CCR9LMNAPOLB

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