SCHEMBL3580280

SCHEMBL3580280

CNc1c(Cl)cc(Cl)c(F)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 5/20 0.36
UBE2M P61081 4/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
STAT3 P40763 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
NR3C1 P04150 2/20 0.35

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
SCHEMBL3584408 0.92 MEN1 (0.39) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL3583574 0.90 HSD11B1 (0.34) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL27750941 0.89 MCL1 (0.37) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL3573419 0.87 GRM2 (0.39) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL27750967 0.87 S1PR1 (0.39) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL3578656 0.85 MCL1 (0.37) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL3573137 0.83 LMNA (0.35) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL12520863 0.81 STAT3 (0.42) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL27730378 0.81 LMNA (0.35) DCUN1D1UBE2MMEN1LMNACYP1A2
SCHEMBL3576623 0.81 LMNA (0.41) MEN1LMNACYP1A2CYP3A4CYP2D6

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