SCHEMBL5236789

SCHEMBL5236789

O=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.43
PGR P06401 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
F12 P00748 1/20 0.40

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
SCHEMBL5234088 0.83 ALDH1A1 (0.45) KMT2AMEN1POLBLMNACYP1A2
SCHEMBL5239035 0.83 MEN1 (0.47) KMT2AMEN1POLBHPGDPGR
SCHEMBL6990464 0.81 ALDH1A1 (0.52) KMT2AMEN1POLBHPGDLMNA
SCHEMBL5233449 0.79 CRBN (0.44) KMT2AHPGDALDH1A1MAPTHTT
SCHEMBL5232579 0.79 MAPT (0.39) HPGDLMNAALDH1A1MAPTHTT
SCHEMBL5232572 0.79 MAPT (0.39) HPGDLMNAALDH1A1MAPTHTT
SCHEMBL7345718 0.78 ALDH1A1 (0.49) KMT2AMEN1POLBHPGDLMNA
SCHEMBL8691614 0.77 HDAC6 (0.45) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6959468 0.76 AVPR2 (0.42) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL8440899 0.76 KMT2A (0.58) KMT2AMEN1POLBHPGDPGR

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 5 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-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO 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