SCHEMBL9164928

SCHEMBL9164928

Cc1ccccc1CC(=O)Nc1cc(C)c(SC[N+](=O)[O-])c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ANO1 Q5XXA6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RORC P51449 1/20 0.42
P2RY14 Q15391 1/20 0.41
MAPK8 P45983 1/20 0.41
ROCK2 O75116 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7226114 0.78 SMN1; SMN2 (0.41) KMT2AMEN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL1201738 0.78 AKR1B1 (0.60) AKR1B1KMT2AMEN1NPC1RAB9A
SCHEMBL9167885 0.77 AKR1B1 (0.53) AKR1B1KMT2AMEN1NPC1TDP1
SCHEMBL9163190 0.76 AKR1B1 (0.61) AKR1B1KMT2AMEN1NPC1TDP1
SCHEMBL7089003 0.75 KMT2A (0.53) AKR1B1KMT2AMEN1NPC1RAB9A
SCHEMBL12323598 0.74 KMT2A (0.67) AKR1B1KMT2AMEN1NPC1RAB9A
SCHEMBL5623718 0.73 CYP1A2 (0.65) AKR1B1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL7088124 0.73 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9711302 0.71 TDP1 (0.47) NPC1RAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL7085104 0.70 KMT2A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed