SCHEMBL9645803

SCHEMBL9645803

O=C1CC=CN(c2ccc3c(c2)oc2ccccc23)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.43
PTGER4 P35408 1/20 0.42
MAOA P21397 4/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
PGAM1 P18669 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4093751 0.74 ALOX5 (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9645796 0.72 ALOX5 (0.56) PTGER4
SCHEMBL9644515 0.71 DRD2 (0.37) MAOAKDM4ECHRNA7KCNH2HSD17B10
SCHEMBL9644524 0.70 ALOX5 (0.51) MEN1KMT2AMAPTHSD17B10GAA
SCHEMBL9645411 0.69 HCAR1 (0.41) ALDH1A1TSHRSMN1; SMN2
SCHEMBL10370364 0.68 DDB1 (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9645891 0.67 GABRP (0.48) KMT2AMAPTCHRNA7GAATSHR
SCHEMBL19642427 0.66 MAOA (0.55) PTGER4MAOAMEN1KMT2AMAPT
SCHEMBL3200559 0.66 PTGER4 (0.48) AHRPTGER4MAOAMEN1KMT2A
SCHEMBL16442542 0.65 AHR (0.50) AHRPTGER4MAOAMEN1KMT2A

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