SCHEMBL5232579

SCHEMBL5232579

CN(C)C=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CRBN Q96SW2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
F12 P00748 1/20 0.35
STING1 Q86WV6 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5232572 1.00 MAPT (0.39) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5231227 0.86 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2L3MBTL1CA2
SCHEMBL7318709 0.86 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2L3MBTL1CA2
SCHEMBL5238517 0.86 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5238511 0.86 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7330871 0.84 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7330866 0.84 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL8691503 0.80 DRD2 (0.39) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5236789 0.79 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5234520 0.75 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1

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-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
US-5719278-A TREATING EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-02-17 US disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed