SCHEMBL6076562

SCHEMBL6076562

O=C(CC1CCCC1)NCc1cccs1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
MEN1 O00255 1/20 0.75
HPGD P15428 7/20 0.73
ALDH1A1 P00352 1/20 0.60
POLB P06746 4/20 0.60
USP2 O75604 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
RECQL P46063 1/20 0.56
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 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
SCHEMBL6076695 0.94 KMT2A (0.66) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL6075693 0.86 KMT2A (1.00) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL6076593 0.85 HPGD (1.00) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL6077865 0.79 HPGD (0.97) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5567016 0.78 HPGD (1.00) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5248141 0.76 HPGD (0.74) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL5248148 0.76 HPGD (0.74) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL15680134 0.76 RAB9A (0.82) KMT2AHPGDALDH1A1POLBRAB9A
SCHEMBL15330996 0.76 KMT2A (0.55) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL13118269 0.75 RAB9A (0.97) 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