SCHEMBL9645381

SCHEMBL9645381

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ALOX5 P09917 2/20 0.43
KMT2A Q03164 2/20 0.37
METAP2 P50579 1/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MPI P34949 1/20 0.37
KEAP1 Q14145 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PGR P06401 1/20 0.34
FADS1 O60427 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL9645333 0.82 ALOX5 (0.45) ALDH1A1GAAMAPTMGLLALOX5
SCHEMBL9644573 0.81 ALOX5 (0.47) MAPTMGLLALOX5L3MBTL1MPI
SCHEMBL9644514 0.76 HPN (0.50) ALDH1A1POLBGAAMAPTKMT2A
SCHEMBL16296191 0.67 ALDH1A1 (0.47) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL17537374 0.65 FAAH (0.59) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL10360330 0.65 CFTR (0.42) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL9795564 0.64 ALOX5 (0.56) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL9645372 0.64 ALOX5 (0.71) ALOX5
SCHEMBL12660980 0.62 FAAH (0.55) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL30940220 0.62 MGLL (1.00) ALDH1A1POLBGAAMAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed