SCHEMBL7981185

SCHEMBL7981185

O=C(O)[C@@H]1CCCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
MAPT P10636 2/20 0.58
SERPINE1 P05121 1/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GRM5 P41594 1/20 0.44
KEAP1 Q14145 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL7978483 1.00 SMN1; SMN2 (0.68) SMN1; SMN2MAPTSERPINE1ALDH1A1LMNA
SCHEMBL1653895 0.88 SMN1; SMN2 (0.64) SMN1; SMN2MAPTSERPINE1ALDH1A1LMNA
SCHEMBL13554691 0.84 MAPT (0.71) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL38658481 0.84 GAA (0.50) SMN1; SMN2MAPTSERPINE1ALDH1A1LMNA
SCHEMBL2064392 0.82 TDP1 (0.63) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL27692447 0.82 TDP1 (0.63) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL27242800 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL27242721 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL11453714 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL11055247 0.81 SMN1; SMN2 (1.00) SMN1; SMN2MAPTSERPINE1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP disclosed