SCHEMBL3581532

SCHEMBL3581532

CNc1ccc(Cl)cc1C(=O)N(CCOc1ccccc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SERPINE1 P05121 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR9 P51686 2/20 0.39
GAA P10253 2/20 0.39
MITF O75030 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL3584396 0.83 C5AR1 (0.44) POLBSERPINE1KMT2AMEN1KDM4E
SCHEMBL3580741 0.83 C5AR1 (0.40) NPC1SERPINE1KMT2AMEN1KDM4E
SCHEMBL3569982 0.81 LPAR1 (0.41) SERPINE1ALDH1A1MAPTCCR9GAA
SCHEMBL3577656 0.80 CNR1 (0.42) RAB9ANPC1SERPINE1KMT2AMEN1
SCHEMBL3579634 0.80 SERPINE1 (0.40) SERPINE1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3569719 0.80 SERPINE1 (0.40) SERPINE1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3581193 0.80 CCR9 (0.39) SERPINE1KDM4EALDH1A1CCR9GAA
SCHEMBL3575555 0.80 F10 (0.42) SERPINE1CCR9
SCHEMBL3584106 0.79 LPAR1 (0.59) SERPINE1LPAR1LPAR5LPAR2
SCHEMBL3583634 0.79 SERPINE1 (0.39) SERPINE1KMT2AMEN1KDM4EALDH1A1

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