SCHEMBL9707256

SCHEMBL9707256

O=c1n(O)ccn1Cc1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ FABP2 P12104 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 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
SCHEMBL9877955 0.80 HDAC8 (0.49) PTGS1LMNATSHRHDAC8HDAC6
SCHEMBL10077158 0.76 KDM4E (0.47) MEN1KMT2ALMNAMAPTHDAC8
SCHEMBL538836 0.71 PTGS1 (0.47) PTGS1MEN1PTGS2KMT2ALMNA
SCHEMBL9877285 0.70 KDM4E (0.47) LMNAMAPTHPGDHDAC1ALDH1A1
SCHEMBL27709190 0.70 PTGS1 (0.46) PTGS1MEN1PTGS2KMT2ALMNA
SCHEMBL3042198 0.69 S1PR5 (0.65) DRD3
Desmethylflurbiprofen SCHEMBL538938 0.69 PTGS1 (0.56) PTGS1MEN1PTGS2KMT2ALMNA
SCHEMBL19824426 0.69 BACE1 (0.49) PTGS1MEN1PTGS2KMT2ALMNA
Desmethylflurbiprofen SCHEMBL239447 0.68 PTGS1 (0.55) PTGS1MEN1PTGS2KMT2ALMNA
SCHEMBL9876997 0.68 MAPK14 (0.55) PTGS1MEN1PTGS2KMT2ALMNA

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
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 — — EP disclosed
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 — — US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 — — US disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 — — US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 — — EP disclosed
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