SCHEMBL6962591

SCHEMBL6962591

O=C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.71
ALDH1A1 P00352 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
BRD4 O60885 4/20 0.55
TSHR P16473 1/20 0.54
BRD2 P25440 1/20 0.54
CASP3 P42574 1/20 0.52

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
SCHEMBL6964190 0.88 BRD4 (0.60) HTTALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL9375233 0.84 HTT (1.00) HTTALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL6972083 0.82 HTT (0.79) HTTALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL6958783 0.80 L3MBTL1 (0.54) HTTALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL6972803 0.80 L3MBTL1 (0.69) HTTALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL6964138 0.80 L3MBTL1 (0.60) HTTALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL6971322 0.79 ALDH1A1 (0.60) HTTALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL3044124 0.76 KCNN4 (0.68) HTTALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL30788269 0.75 HTT (0.66) HTTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL27180011 0.75 HTT (0.66) HTTALDH1A1NPSR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed