SCHEMBL7835798

SCHEMBL7835798

O=C1CCCC/C1=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
MAPT P10636 8/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HSP90AA1 P07900 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.55
METAP1 P53582 1/20 0.52
IGF1R P08069 1/20 0.52
ACHE P22303 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NFE2L2 Q16236 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL3437882 1.00 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL3437883 1.00 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL27920741 0.97 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL29506221 0.87 METAP1 (0.56) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL11692179 0.87 METAP1 (0.61) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL11691994 0.84 METAP1 (0.61) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL3437943 0.81 USP18 (0.56) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL29169528 0.81 USP18 (0.56) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL3437940 0.81 USP18 (0.56) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL29506222 0.81 MAPT (0.61) ALDH1A1MAPTLMNAHPGDHTT

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-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
EP-0665834-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-08-09 EP disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed