SCHEMBL6076695

SCHEMBL6076695

O=C(CC1CC1)NCc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
HPGD P15428 8/20 0.64
ALDH1A1 P00352 3/20 0.64
POLB P06746 4/20 0.63
USP2 O75604 1/20 0.62
MAPT P10636 3/20 0.57
TSHR P16473 1/20 0.57
HSD11B1 P28845 1/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6076562 0.94 KMT2A (0.75) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL6075693 0.80 KMT2A (1.00) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL6076593 0.79 HPGD (1.00) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5248141 0.78 HPGD (0.74) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5248148 0.78 HPGD (0.74) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL4532306 0.78 MAN1B1 (0.57) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL13438260 0.77 USP2 (0.93) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL1709325 0.77 HPGD (0.72) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL4091917 0.77 HPGD (0.72) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL28741579 0.77 HPGD (0.72) KMT2AMEN1HPGDALDH1A1POLB

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