SCHEMBL7835633

SCHEMBL7835633

CC1=CC(c2cccc(Br)c2)C2=C(CCCC2=O)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 1/20 0.60
ABCC9 O60706 5/20 0.54
ABCC8 Q09428 5/20 0.54
KCNJ11 Q14654 5/20 0.54
KCNJ8 Q15842 5/20 0.54
CACNA1D Q01668 1/20 0.51
FFAR3 O14843 2/20 0.51
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GPR174 Q9BXC1 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 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
SCHEMBL7833898 0.85 KDM4E (0.60) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL7823758 0.85 ABCC9 (0.53) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL2451845 0.84 CACNA1D (0.69) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL7833877 0.83 GPR174 (0.57) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL7837406 0.82 FFAR3 (0.53) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL7838163 0.81 KMT2A (0.53) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL7835689 0.80 ABCC9 (0.57) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL7835461 0.79 ABCC9 (0.74) ALDH1A1KDM4EHPGDPOLBTSHR
SCHEMBL8876634 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDCACNA1DFFAR3
SCHEMBL7836338 0.79 ABCC9 (0.53) ALDH1A1KDM4EABCC9ABCC8KCNJ11

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