SCHEMBL6651702

SCHEMBL6651702

Cc1ccc([N+]#N)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 2/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MCOLN3 Q8TDD5 2/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PPIA P62937 1/20 0.40

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
Nitrogen SCHEMBL11494351 0.92 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL11658461 0.85 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL16914501 0.85 MAPT (0.51) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL12715334 0.81 TSHR (0.55) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL29953181 0.81 TSHR (0.55) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL14733275 0.78 MAPT (0.59) TSHRALDH1A1CYP3A4HSD17B10MAPT
SCHEMBL1858467 0.78 ALDH1A1 (0.56) TSHRALDH1A1RECQLMAPTKMT2A
Hydrochloric Acid SCHEMBL11577241 0.76 VCAM1 (0.53) TSHRMAPK1TDP1
SCHEMBL7761074 0.74 TSHR (0.58) TSHRALDH1A1CYP3A4MAPTMAPK1
SCHEMBL7190826 0.74 TSHR (0.64) TSHRALDH1A1CYP3A4RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931103-B1 MONOMERS, OLIGOMERS AND POLYMERS WITH TERMINAL OXIRANE GROUPS, METHOD OF PREPARATION AND POLYMERISATION UNDER RADIATION EXPOSURE UCB SA (BE) 2004-06-09 EP disclosed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 EP disclosed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 EP disclosed
US-4100321-A Powdered tonor image containing article AMERICAN CAN COMPANY (US) 1978-07-11 US disclosed
US-4091194-A Dry photopolymer imaging process AMERICAN CAN COMPANY (US) 1978-05-23 US disclosed
US-4071671-A RECORDING MATERIALS AMERICAN CAN COMPANY (US) 1978-01-31 US disclosed
US-4056393-A Method of recording information using a copolymer of glycidyl methacrylate and allyl glycidyl ether AMERICAN CAN COMPANY (US) 1977-11-01 US disclosed
US-4054455-A CATALYTIC PHOTOPOLYMERIZATION AMERICAN CAN COMPANY (US) 1977-10-18 US disclosed
US-4054732-A Dry photopolymer imaging process AMERICAN CAN COMPANY (US) 1977-10-18 US disclosed
US-4054635-A RECORDING AND STORING INFORMATION AMERICAN CAN COMPANY (US) 1977-10-18 US disclosed
US-3997344-A Dry positive photopolymer imaging process involving heating and application of toner AMERICAN CAN COMPANY (US) 1976-12-14 US disclosed