SCHEMBL3408264

SCHEMBL3408264

Cc1ccc(CC(C#N)SC#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP2A6 P11509 2/20 0.34
IDO1 P14902 1/20 0.34
ESR1 P03372 5/20 0.34
ESR2 Q92731 5/20 0.34
CYP1A2 P05177 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL14680284 0.81 EPHX1 (0.40) ALDH1A1CYP2A6CYP1A2TAAR1
SCHEMBL3412031 0.80 CTSB (0.41) ALDH1A1IDO1CYP1A2CYP3A4CYP2C9
SCHEMBL3760717 0.75 LOXL2 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL6824587 0.74 ALDH1A1 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL9672981 0.72 ACACB (0.40) DPP4FAPDPP8DPP9DPP7
SCHEMBL26936224 0.72 ACACB (0.40) DPP4FAPDPP8DPP9DPP7
SCHEMBL9886035 0.71 DPP4 (0.40) DPP4FAPDPP8DPP9DPP7
SCHEMBL8763209 0.70 SLC6A4 (0.36) ALDH1A1ESR1ESR2CYP1A2MEN1
SCHEMBL30366045 0.69 ESR2 (0.67) ALDH1A1CYP2A6IDO1ESR1ESR2
SCHEMBL18177303 0.69 PNMT (0.49) IDO1MEN1CYP3A4KMT2ATAAR1

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