SCHEMBL9645370

SCHEMBL9645370

O=C1NN(c2ccccc2)C=CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CFTR P13569 1/20 0.41
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
GAA P10253 1/20 0.40
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL9646990 0.81 ELANE (0.37) CFTRELANEGAAGSK3AGSK3B
SCHEMBL9644474 0.71 GSK3A (0.41) CFTRGAAGSK3AGSK3BMGLL
SCHEMBL1078286 0.68 SIGMAR1 (0.48) ELANEF2PLGCTSGCMA1
SCHEMBL9645360 0.68 DDB1 (0.53) DDB1CRBNGAAMEN1KMT2A
SCHEMBL4619566 0.67 GSK3A (0.46) DDB1CRBNELANEF2PLG
SCHEMBL9645722 0.66 ELANE (0.35) CFTRELANEGAAGSK3AGSK3B
SCHEMBL9645196 0.66 LMNA (0.37) CFTRELANEGAAMEN1KMT2A
SCHEMBL9645637 0.66 CES2 (0.41) DDB1CRBNCFTRGAAKMT2A
SCHEMBL9644526 0.66 KMT2A (0.39) CFTRGAAGSK3AGSK3BMEN1
SCHEMBL7747499 0.63 DDB1 (0.47) DDB1CRBNELANEF2PLG

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