SCHEMBL3409348

SCHEMBL3409348

Cc1ccc(O)c(SC#N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
ALOX15 P16050 3/20 0.61
HSD17B10 Q99714 3/20 0.61
TP53 P04637 2/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
ALOX12 P18054 1/20 0.61
ALDH1A1 P00352 3/20 0.47
TRPA1 O75762 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
CSNK2A1 P68400 1/20 0.38
AMY1A P0DUB6 1/20 0.36
USP2 O75604 1/20 0.35
USP8 P40818 1/20 0.35
USP5 P45974 1/20 0.35
USP4 Q13107 1/20 0.35
USP7 Q93009 1/20 0.35

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
SCHEMBL7939185 0.79 MEN1 (0.39) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL9810679 0.76 LMNA (0.74) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL5493620 0.76 ALOX15 (1.00) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL8131924 0.76 NPC1 (0.53) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL30673282 0.75 HAO1 (0.43) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL10897641 0.75 HAO1 (0.43) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL4606273 0.73 AR (0.38) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL27884492 0.72 ALOX15 (0.68) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL10750244 0.72 ALOX15 (0.68) LMNAALOX15HSD17B10TP53MAPT
SCHEMBL20228268 0.72 USP2 (0.35) LMNAALOX15HSD17B10TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242062-B2 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. (US) 2012-08-14 US disclosed
EP-2264130-A2 Ims detection of chemical markers in petroleum products Authentix, Inc. (US) 2010-12-22 EP disclosed
US-20070212785-A1 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2007-09-13 US disclosed
EP-1588174-A4 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX INC (US) 2007-04-25 EP disclosed
US-7208451-B2 IMS detection of chemical markers in petroleum products AUTHENTIC INC. (US) 2007-04-24 US disclosed
EP-1588174-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS Authentix, Inc. (US) 2005-10-26 EP disclosed
WO-2004068113-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2004-08-12 WO disclosed
US-20040147413-A1 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. 2004-07-29 US disclosed