SCHEMBL7835486

SCHEMBL7835486

CC(C)C1=CC(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CACNA1D Q01668 1/20 0.46
GPR174 Q9BXC1 1/20 0.45
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
CACNA1C Q13936 1/20 0.40
LMNA P02545 3/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7838163 0.87 KMT2A (0.53) KMT2AMEN1CACNA1DGPR174MAPT
SCHEMBL7837751 0.86 KMT2A (0.48) KMT2AMEN1CACNA1DGPR174MAPT
SCHEMBL7838059 0.84 MEN1 (0.51) KMT2AMEN1CACNA1DGPR174MAPT
SCHEMBL7836675 0.84 KMT2A (0.51) KMT2AMEN1CACNA1DGPR174MAPT
SCHEMBL7834553 0.82 MEN1 (0.48) KMT2AMEN1CACNA1DGPR174MAPT
SCHEMBL7814727 0.79 ABCC9 (0.60) KMT2AMEN1GPR174MAPTSMN1; SMN2
SCHEMBL7835693 0.75 ABCC9 (0.52) KMT2AMEN1GPR174MAPTSMN1; SMN2
SCHEMBL7833415 0.73 ALDH1A1 (0.54) KMT2AMEN1CACNA1DMAPTCACNA1C
SCHEMBL8878451 0.73 KDM4E (0.65) KMT2AMEN1GPR174MAPTLMNA
SCHEMBL5227900 0.73 MEN1 (0.53) KMT2AMEN1CACNA1DMAPTCACNA1C

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-0665834-B1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ASTRAZENECA AB (SE) 2001-05-30 EP disclosed
US-5622964-A ADMINISTERING 4,6,7,8-TETRAHYDRO-5(1H)-QUINOLONE DERIVATIVE TO TREAT ASTHMA IN MAMMALS ZENECA LIMITED (GB) 1997-04-22 US disclosed
US-5455253-A For urinary incontinence ZENECA LIMITED (GB) 1995-10-03 US disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed