SCHEMBL9645333

SCHEMBL9645333

O=C1NC=CN(c2cccc(Cl)c2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.45
MGLL Q99685 1/20 0.43
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL9645434 0.82 ALOX5 (0.40) ALOX5MGLLGAAMAPTHTT
SCHEMBL9644573 0.82 ALOX5 (0.47) ALOX5MGLLMAPTTP53ADRB1
SCHEMBL9645381 0.82 ALDH1A1 (0.49) ALOX5MGLLGAAMAPTMEN1
SCHEMBL10439140 0.70 HTR3E (0.44) ALOX5MGLLMAPTHTTHTR3E
SCHEMBL9644634 0.69 MAPT (0.46) ALOX5MGLLGAAMAPTHTT
SCHEMBL8556301 0.66 ALOX5 (0.46) ALOX5MGLLGAAMAPTHTT
SCHEMBL16296350 0.66 ALOX5 (0.47) ALOX5MGLLGAAMAPTHTT
SCHEMBL10361338 0.66 CFTR (0.42) ALOX5MGLLGAAMAPTHTT
SCHEMBL9645791 0.64 ALOX5 (0.42) ALOX5MGLLMAPTADRB1HPGD
SCHEMBL9623886 0.64 ALDH1A1 (0.71) ALOX5MGLLGAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US claimed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP claimed
JP-1156966-A None JP disclosed
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
JP-H01156966-A PYRIDADINONE, TRIAZINONE AND OXAPYRIDADINONE COMPOUND HAVING LIPOXYGENASE INHIBITING EFFECT ABBOTT LAB 1989-06-20 JP disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed