SCHEMBL3583574

SCHEMBL3583574

N#CCNc1c(Cl)cc(Cl)c(F)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
DCUN1D1 Q96GG9 4/20 0.34
UBE2M P61081 3/20 0.34
STAT3 P40763 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
S1PR1 P21453 1/20 0.34
GRK5 P34947 1/20 0.34
CDK8 P49336 1/20 0.34
S1PR5 Q9H228 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
SCHEMBL27730378 0.92 LMNA (0.35) HSD11B1DCUN1D1UBE2MSTAT3MEN1
SCHEMBL3580280 0.90 DCUN1D1 (0.36) DCUN1D1UBE2MSTAT3MEN1LMNA
SCHEMBL3584408 0.88 MEN1 (0.39) DCUN1D1UBE2MSTAT3MEN1LMNA
SCHEMBL27730387 0.88 S1PR1 (0.36) HSD11B1DCUN1D1UBE2MMEN1LMNA
SCHEMBL3580976 0.86 MCL1 (0.35) HSD11B1DCUN1D1UBE2MMEN1LMNA
SCHEMBL3573419 0.84 GRM2 (0.39) DCUN1D1UBE2MSTAT3MEN1LMNA
SCHEMBL27750941 0.83 MCL1 (0.37) DCUN1D1UBE2MSTAT3MEN1LMNA
SCHEMBL3577795 0.82 LMNA (0.38) STAT3MEN1LMNACYP1A2CYP3A4
SCHEMBL27730389 0.82 S1PR1 (0.37) DCUN1D1UBE2MSTAT3MEN1LMNA
SCHEMBL27750967 0.82 S1PR1 (0.39) DCUN1D1UBE2MMEN1LMNACYP1A2

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