SCHEMBL3412031

SCHEMBL3412031

Cc1cccc(CC(C#N)SC#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.41
CTSL P07711 5/20 0.41
CTSS P25774 4/20 0.41
TAAR1 Q96RJ0 2/20 0.40
IDO1 P14902 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 2/20 0.37
MAOB P27338 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL18177303 0.81 PNMT (0.49) CTSBCTSLCTSSTAAR1IDO1
SCHEMBL3408264 0.80 DPP4 (0.35) TAAR1IDO1LMNAMAPTHTT
SCHEMBL14680284 0.79 EPHX1 (0.40) TAAR1MAOBALDH1A1CYP1A2
SCHEMBL1443102 0.78 TAAR1 (0.46) CTSBCTSLCTSSTAAR1IDO1
SCHEMBL16078805 0.75 TAAR1 (0.47) CTSBCTSLCTSSTAAR1IDO1
SCHEMBL11852464 0.75 TAAR1 (0.43) CTSBCTSLCTSSTAAR1IDO1
SCHEMBL197979 0.75 CTSB (0.45) CTSBCTSLCTSSTAAR1IDO1
SCHEMBL28606112 0.71 CTSB (0.50) CTSBCTSLCTSSTAAR1CTSK
SCHEMBL468487 0.70 TAAR1 (0.50) TAAR1IDO1LMNAMAPTHTT
SCHEMBL13214477 0.70 CTSB (0.50) CTSBCTSLCTSSCTSK

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