SCHEMBL3572867

SCHEMBL3572867

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)ccc2NC2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SERPINE1 P05121 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CNR2 P34972 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ESRRG P62508 2/20 0.35
ESRRB O95718 1/20 0.35
C5AR1 P21730 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
FLT1 P17948 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
SCHEMBL3579634 0.88 SERPINE1 (0.40) MEN1KMT2ASERPINE1LMNAHTT
SCHEMBL3577185 0.87 LMNA (0.40) MEN1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL3580209 0.85 MCHR1 (0.40) MEN1HPGDKMT2ANPSR1HDAC3
SCHEMBL3583661 0.82 BTK (0.41) MEN1KMT2AKCNH2HDAC3HDAC8
SCHEMBL3583634 0.81 SERPINE1 (0.39) MEN1KMT2ASERPINE1LMNAHTT
SCHEMBL3576972 0.80 BTK (0.36) HDAC3HDAC8HDAC6NR1H4ESRRG
SCHEMBL3584396 0.80 C5AR1 (0.44) MEN1KMT2ASERPINE1LMNAHTT
SCHEMBL3581531 0.78 C5AR1 (0.43) MEN1KMT2ASERPINE1LMNAHTT
SCHEMBL3569921 0.78 SERPINE1 (0.47) MEN1KMT2ASERPINE1LMNAHTT
SCHEMBL3575452 0.78 KMT2A (0.42) MEN1KMT2ANR1H4ESRRGESRRB

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