SCHEMBL8692256

SCHEMBL8692256

N#Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.68
MAPT P10636 9/20 0.68
KDM4E B2RXH2 2/20 0.68
GAA P10253 3/20 0.67
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
HTT P42858 4/20 0.58
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
HPGD P15428 2/20 0.57
POLB P06746 1/20 0.57
ALOX12 P18054 1/20 0.57
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL3633792 0.85 USP2 (0.71) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL5432715 0.81 MAPT (1.00) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL13271173 0.80 USP2 (0.62) ALDH1A1MAPTGAAKMT2AHTT
SCHEMBL9233597 0.80 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL5527258 0.78 MAPT (0.74) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL10125733 0.78 MAPT (0.70) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL6450004 0.76 ALDH1A1 (0.72) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL9095171 0.76 GAA (0.59) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL20657355 0.76 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL5449567 0.75 IDO1 (0.78) ALDH1A1MAPTKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773459-A ENZYME INHIBITORS OF KINASES AND ANTICARCINOGENIC AGENTS SUGEN, INC. (US) 1998-06-30 US claimed
US-5773459-A ENZYME INHIBITORS OF KINASES AND ANTICARCINOGENIC AGENTS SUGEN, INC. (US) 1998-06-30 US disclosed
WO-1996040673-A1 NOVEL UREA- AND THIOUREA-TYPE COMPOUNDS SUGEN, INC. (US) 1996-12-19 WO disclosed