SCHEMBL7364017

SCHEMBL7364017

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.52
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
CYP2A6 P11509 2/20 0.43
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.37
CA1 P00915 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL13100477 0.82 L3MBTL1 (0.43) FBP1ALDH1A1GAATSHRMAPT
SCHEMBL7921437 0.79 FBP1 (0.47) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL28522622 0.73 ALDH1A1 (0.61) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL28605332 0.73 ALDH1A1 (0.61) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL9631776 0.73 FBP1 (0.48) FBP1KDM4ECYP2A6RAB9ACA1
SCHEMBL9631799 0.71 EGFR (0.47) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL11754100 0.71 ALDH1A1 (0.50) FBP1ALDH1A1LMNAGAACYP2A6
SCHEMBL506585 0.71 RAB9A (0.58) FBP1ALDH1A1KDM4ERAB9ATSHR
SCHEMBL8039810 0.71 CA12 (0.53) FBP1ALDH1A1CA2CA12CA3
SCHEMBL8043742 0.71 FBP1 (0.44) FBP1ALDH1A1KDM4ELMNAGAA

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
US-5106723-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1992-04-21 US claimed
US-5002993-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1991-03-26 US claimed
US-6265400-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-07-24 US disclosed
EP-1091945-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
WO-2000000481-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO disclosed
US-6004955-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-21 US disclosed
EP-0922039-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-06-16 EP disclosed
WO-1998006707-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed
EP-0254221-B1 CONTRAST ENHANCEMENT LAYER COMPOSITIONS, ALKYLNITRONES, AND USE MicroSi, Inc. (a Delaware corporation) (US) 1992-05-13 EP disclosed
US-5106723-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1992-04-21 US disclosed
US-5002993-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1991-03-26 US disclosed
EP-0254221-A2 Contrast enhancement layer compositions, alkylnitrones, and use MicroSi, Inc. (a Delaware corporation) (US) 1988-01-27 EP disclosed