SCHEMBL9645320

SCHEMBL9645320

S=C1NC=CN(c2ccccc2)N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRK5 P34947 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ALDH1A1 P00352 5/20 0.31
HPGD P15428 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE7B Q9NP56 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
CYP1A2 P05177 1/20 0.30

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 0.79 ALOX5 (0.40) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL9644558 0.76 ALOX5 (0.38) GAAMEN1KMT2ARAB9A
SCHEMBL10514802 0.68 CFTR (0.32) CFTRKDM4EGAAMAPTTDP1
SCHEMBL4453324 0.64 ALDH1A1 (0.41) KDM4EGAAMAPTTDP1GRK5
SCHEMBL9644474 0.64 GSK3A (0.41) CFTRKDM4EGAAMAPTTDP1
SCHEMBL1230085 0.63 CFTR (0.59) CFTRKDM4EGAAHPGDMEN1
SCHEMBL8006411 0.63 GAA (0.33) CFTRGAAMAPTALDH1A1HPGD
SCHEMBL2749647 0.61 CFTR (0.33) CFTRKDM4EGAAALDH1A1HPGD
SCHEMBL28109257 0.60 CFTR (0.32) CFTRGAAMAPTALDH1A1HPGD
SCHEMBL4093751 0.59 ALOX5 (0.43) KDM4EGAAMAPTTDP1ALDH1A1

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
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
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