SCHEMBL3575602

SCHEMBL3575602

CNc1ccccc1C(=O)N(CCc1ccc(C(F)(F)F)c(F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
ESRRG P62508 4/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
NR1H4 Q96RI1 3/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
P2RY1 P47900 1/20 0.35
HDAC11 Q96DB2 2/20 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
SCHEMBL3578799 0.88 TP53 (0.39) LPAR1LPAR5ESRRGTP53MAPT
SCHEMBL3579507 0.87 HDAC8 (0.41) NR1H4KMT2APPARGHDAC6HDAC1
SCHEMBL3570707 0.86 C5AR1 (0.39) LPAR1LPAR5ESRRGTP53MAPT
SCHEMBL3583652 0.84 EPHX2 (0.38) LPAR1LPAR5ESRRGTP53MAPT
SCHEMBL3575452 0.83 KMT2A (0.42) ESRRGNR1H4KMT2APPARG
SCHEMBL3570220 0.82 KDM5A (0.40) LPAR1LPAR5NR1H4EPHX2KMT2A
SCHEMBL3587595 0.81 C5AR1 (0.49) LPAR1LPAR5ESRRGNR1H4KMT2A
SCHEMBL3581450 0.80 MEP1B (0.41) LPAR1LPAR5MAPTNR1H4KMT2A
SCHEMBL3574076 0.78 HDAC1 (0.52) LPAR1LPAR5HDAC6HDAC1HDAC11
SCHEMBL3581107 0.78 RAB9A (0.37) ESRRGTP53MAPTNR1H4KMT2A

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