SCHEMBL6076593

SCHEMBL6076593

O=C(CCC1CCCCC1)NCc1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 1.00
KMT2A Q03164 3/20 0.97
MEN1 O00255 2/20 0.97
USP2 O75604 1/20 0.62
POLB P06746 3/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL6075693 0.99 KMT2A (1.00) HPGDKMT2AMEN1USP2POLB
SCHEMBL6076562 0.85 KMT2A (0.75) HPGDKMT2AMEN1USP2POLB
SCHEMBL6076695 0.79 KMT2A (0.66) HPGDKMT2AMEN1USP2POLB
SCHEMBL13438260 0.78 USP2 (0.93) HPGDKMT2AMEN1USP2POLB
SCHEMBL20179555 0.78 HPGD (0.62) HPGDKMT2AMEN1POLBTSHR
SCHEMBL5567016 0.77 HPGD (1.00) HPGDKMT2AMEN1POLBTSHR
SCHEMBL4070763 0.77 NPC1 (0.73) HPGDKMT2AMEN1POLBALDH1A1
SCHEMBL6077387 0.76 HPGD (0.62) HPGDKMT2AMEN1POLBALDH1A1
SCHEMBL6077865 0.76 HPGD (0.97) HPGDKMT2AMEN1POLBTSHR
SCHEMBL8269659 0.75 USP2 (0.76) HPGDKMT2AMEN1USP2POLB

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
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed