SCHEMBL12849031

SCHEMBL12849031

Cc1ccc(-c2cc(C)n(CCO[Si](C)(C)C(C)(C)C)n2)cc1NC(=O)NN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC4 P56524 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
NCOR2 Q9Y618 3/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
CECR2 Q9BXF3 2/20 0.33
TRIM24 O15164 1/20 0.33
BRD1 O95696 1/20 0.33

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
Hydrazinecarboxamide SCHEMBL1464482 0.84 MAPT (0.33) MAPTPPARGPPARAHDAC3HDAC1
SCHEMBL3348300 0.81 PPARG (0.33) MAPTPPARGPPARAHDAC3HDAC1
SCHEMBL1225834 0.80 MAPT (0.34) MAPTPOLBMEN1KMT2ATSHR
SCHEMBL1226419 0.76 ALDH1A1 (0.38) MAPTPOLBMEN1KMT2ATSHR
SCHEMBL2102964 0.74 P2RX7 (0.52) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL6077004 0.68 DUT (0.35) MAPTTP53TSHRKDM4EGAA
SCHEMBL6076773 0.68 PTGER1 (0.42) KDM4ECYP1A2
SCHEMBL31206670 0.66 GLS (0.36) MAPTPOLBTSHRKDM4EGAA
SCHEMBL3342745 0.66 KAT6A (0.42) MAPTPPARGPPARAHDAC3HDAC1
SCHEMBL6077974 0.65 KMT2A (0.38) MAPTPOLBKMT2ATSHRKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed