SCHEMBL8733005

SCHEMBL8733005

Cc1cc([N+](=O)[O-])ccc1N=C=Nc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TSHR P16473 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 4/20 0.55
GRIN2D O15399 3/20 0.50
GRIN3B O60391 3/20 0.50
GRIN1 Q05586 3/20 0.50
GRIN2A Q12879 3/20 0.50
GRIN2B Q13224 3/20 0.50
GRIN2C Q14957 3/20 0.50
GRIN3A Q8TCU5 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
ACHE P22303 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 4/20 0.42
CRHBP P24387 2/20 0.42

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
SCHEMBL546059 0.88 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4GRIN2D
SCHEMBL7121492 0.86 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CYP3A4GRIN2D
SCHEMBL9331922 0.81 ALDH1A1 (0.62) ALDH1A1TSHRTDP1CYP3A4GRIN2D
SCHEMBL6708318 0.80 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4GRIN2D
SCHEMBL6708321 0.80 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4GRIN2D
SCHEMBL18245482 0.80 TDP1 (0.53) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL11876448 0.79 GRIN2D (0.66) ALDH1A1TSHRTDP1CYP3A4GRIN2D
SCHEMBL11341462 0.77 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4GRIN2D
SCHEMBL19526399 0.77 GRIN2D (0.59) ALDH1A1TSHRTDP1CYP3A4GRIN2D
Nitric Acid SCHEMBL3858362 0.77 GRIN2D (0.63) ALDH1A1TSHRTDP1CYP3A4GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064103-A SUBSTITUTED CARBODIIMIDES BASF AKTIENGESELLSCHAFT (DT) 1977-12-20 US claimed
EP-0323047-B1 Phosphate/epoxy stabilizer for extrudable polyester blends FORD MOTOR CO (GB) 1998-01-21 EP disclosed
US-5023284-A Prevents transesterification FORD MOTOR COMPANY (US) 1991-06-11 US disclosed
US-4983654-A TO RETARD TRANSESTERIFICATION FORD MOTOR COMPANY (US) 1991-01-08 US disclosed
EP-0323045-A1 Stabilizer system for extrudable polyester blends FORD MOTOR COMPANY LIMITED (GB) 1989-07-05 EP disclosed
EP-0323047-A1 Phosphate/epoxy stabilizer for extrudable polyester blends FORD MOTOR COMPANY LIMITED (GB) 1989-07-05 EP disclosed
EP-0321126-A1 Stabilizer system for extrudable polyester blends FORD MOTOR COMPANY LIMITED (GB) 1989-06-21 EP disclosed