SCHEMBL9645868

SCHEMBL9645868

O=C1CC=CN(c2ccccc2)N1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
TSHR P16473 2/20 0.39
GRM5 P41594 5/20 0.38
ALDH1A1 P00352 1/20 0.36
CTSG P08311 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL9645295 0.80 GSK3A (0.40) ALDH1A1CTSG
SCHEMBL9645861 0.70 GRM5 (0.40) APPTSHRGRM5ALDH1A1LMNA
SCHEMBL9645288 0.70 GAA (0.44) TSHRALDH1A1CTSGLMNA
SCHEMBL7301415 0.66 MEN1 (0.37) TSHRALDH1A1PKM
SCHEMBL9645259 0.65 NPC1 (0.45) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL8764825 0.64 MGLL (0.59) TSHRALDH1A1CTSGMAPK1
SCHEMBL5828559 0.64 ALDH1A1 (0.49) APPTSHRGRM5ALDH1A1CTSG
SCHEMBL8062425 0.64 GSK3A (0.63) APPTSHRALDH1A1LMNAMAPK1
SCHEMBL16291450 0.63 MEN1 (0.41) TSHRALDH1A1PKMMAPK1
SCHEMBL7871541 0.63 ALDH1A1 (0.34) TSHRALDH1A1PKM

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