SCHEMBL3580852

SCHEMBL3580852

CNc1ccc(Cl)cc1C(=O)N(CCn1ccc(-c2ccccc2)n1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
CRHR1 P34998 1/20 0.35
LMNA P02545 1/20 0.35
CCR9 P51686 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
NR1H4 Q96RI1 3/20 0.35
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 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
SCHEMBL3576392 0.85 HCRTR1 (0.38) SERPINE1LMNACCR9HCRTR1HCRTR2
SCHEMBL3580080 0.80 KLKB1 (0.36) SERPINE1MAPTLMNACCR9CYP19A1
SCHEMBL3577510 0.78 SERPINE1 (0.36) SERPINE1MAPTLMNACCR9CYP19A1
SCHEMBL3584396 0.78 C5AR1 (0.44) SERPINE1LMNACCR9ALDH1A1HTT
SCHEMBL3581532 0.78 RAB9A (0.41) SERPINE1MAPTCCR9ALDH1A1MEN1
SCHEMBL3569719 0.77 SERPINE1 (0.40) SERPINE1LMNACCR9NR1H4ALDH1A1
SCHEMBL3574965 0.76 ALDH1A1 (0.38) SERPINE1CRHR1CCR9ALDH1A1CYP1A2
SCHEMBL3580741 0.76 C5AR1 (0.40) SERPINE1LMNACCR9NR1H4ALDH1A1
SCHEMBL3577474 0.76 CCR9 (0.35) SERPINE1CRHR1LMNACCR9CYP19A1
SCHEMBL3578962 0.76 CCR1 (0.37) SERPINE1MAPTLMNACCR9ALDH1A1

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