SCHEMBL8807159

SCHEMBL8807159

Cc1ccc(C(C)N(N)C(=O)NO)o1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.55
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
KLK7 P49862 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL8806331 0.82 ALOX5 (0.66) ALOX5ALDH1A1HPGDKLK7
SCHEMBL8807791 0.71 ALOX5 (1.00) ALOX5
SCHEMBL8807163 0.71 ALOX5 (0.64) ALOX5ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL8807165 0.70 ALOX5 (0.97) ALOX5
SCHEMBL8806921 0.70 ALOX5 (0.97) ALOX5
Hydroxyurea SCHEMBL8806917 0.70 ALOX5 (0.50) ALOX5KDM4EMAPTTDP1ALDH1A1
SCHEMBL8808277 0.67 ALOX5 (0.57) ALOX5KDM4EMAPTTDP1ALDH1A1
SCHEMBL30825760 0.66 ALOX5 (0.58) ALOX5KDM4EMAPTTDP1ALDH1A1
SCHEMBL9832102 0.66 ALOX5 (0.45) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL8807718 0.65 TDP1 (0.43) ALOX5KDM4EMAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320628-B1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5112848-A Antiasthmatics and antiarthritic agents ABBOTT LABORATORIES (US) 1992-05-12 US disclosed
EP-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
EP-0320628-A1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LABORATORIES (US) 1989-06-21 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed