SCHEMBL7276378

SCHEMBL7276378

N#Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
PGR P06401 5/20 0.50
VCAM1 P19320 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP2 O95551 2/20 0.48
KDM1A O60341 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.46

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
SCHEMBL6435365 0.88 TSHR (0.53) LMNATSHRPGRVCAM1MAPT
SCHEMBL2961542 0.82 KCNJ1 (0.55) LMNAPGRVCAM1MAPTALDH1A1
SCHEMBL4516641 0.82 TSHR (0.64) LMNATSHRPGRMAPTALDH1A1
SCHEMBL7838339 0.82 LMNA (0.64) LMNATSHRPGRMAPTALDH1A1
SCHEMBL6738366 0.82 TSHR (0.76) LMNATSHRPGRMAPTALDH1A1
Dinitrophenylene SCHEMBL27546949 0.81 TSHR (0.63) LMNATSHRVCAM1MAPTALDH1A1
SCHEMBL57152 0.80 VCAM1 (0.64) LMNATSHRVCAM1MAPTALDH1A1
SCHEMBL29913891 0.80 VCAM1 (0.64) LMNATSHRVCAM1MAPTALDH1A1
Dinitrophenylene SCHEMBL27524309 0.80 TSHR (0.58) LMNATSHRVCAM1ALDH1A1
SCHEMBL29526232 0.80 TSHR (0.67) LMNATSHRPGRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed