SCHEMBL3578962

SCHEMBL3578962

CNc1ccc(Cl)cc1C(=O)N(CCn1nc(C(F)(F)F)c(Cl)c1C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
SLC2A1 P11166 1/20 0.35
SLC2A3 P11169 1/20 0.35
SLC2A4 P14672 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SERPINE1 P05121 1/20 0.34
CCR9 P51686 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR2 P41597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
NLRP3 Q96P20 1/20 0.33
F10 P00742 1/20 0.33
KLKB1 P03952 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
SCHEMBL3574298 0.87 KDM4E (0.36) CCR1KDM4ERECQLSLC2A1SLC2A3
SCHEMBL3577474 0.87 CCR9 (0.35) CCR1KDM4ESERPINE1CCR9LMNA
SCHEMBL3574965 0.86 ALDH1A1 (0.38) KDM4ESERPINE1CCR9CCR2ALDH1A1
SCHEMBL3577510 0.85 SERPINE1 (0.36) CCR1KDM4ESERPINE1CCR9LMNA
SCHEMBL3580080 0.85 KLKB1 (0.36) CCR1KDM4ESERPINE1CCR9LMNA
SCHEMBL3576392 0.82 HCRTR1 (0.38) KDM4ESERPINE1CCR9LMNASMN1; SMN2
SCHEMBL3582314 0.80 CCR9 (0.38) SERPINE1CCR9LMNASMN1; SMN2CCR2
SCHEMBL3584396 0.78 C5AR1 (0.44) KDM4ESERPINE1CCR9LMNASMN1; SMN2
SCHEMBL3581366 0.77 HCRTR1 (0.38) KDM4ESERPINE1CCR9LMNASMN1; SMN2
SCHEMBL3576868 0.77 HCRTR1 (0.42) SERPINE1CCR9F10KLKB1

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