SCHEMBL7968505

SCHEMBL7968505

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.52
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL7978124 1.00 FFAR1 (0.52) FFAR1ALDH1A1LMNASMN1; SMN2PPARG
SCHEMBL7968507 1.00 FFAR1 (0.52) FFAR1ALDH1A1LMNASMN1; SMN2PPARG
SCHEMBL3435628 0.85 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL4060044 0.85 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL29512894 0.82 CUL4A (0.49) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7978483 0.81 SMN1; SMN2 (0.68) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL7981185 0.81 SMN1; SMN2 (0.68) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL29512840 0.80 KMT2A (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1350897 0.79 POLB (0.48) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL2561960 0.78 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2KDM4EMEN1

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