SCHEMBL9707417

SCHEMBL9707417

O=c1n(O)ccn1CC=Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TLR4 O00206 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ EPOR P19235 1/20 0.37
▸ AKR1B1 P15121 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36

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
SCHEMBL9707415 1.00 IDH1 (0.42) IDH1MEN1LMNAKMT2ASRD5A2
SCHEMBL10949490 0.73 LTA4H (0.52) MEN1LMNAKMT2ASRD5A2NPC1
SCHEMBL10949485 0.73 LTA4H (0.52) MEN1LMNAKMT2ASRD5A2NPC1
SCHEMBL11148240 0.71 OPRD1 (0.42) MEN1LMNAKMT2ANPC1ALDH1A1
SCHEMBL9877285 0.70 KDM4E (0.47) LMNAALDH1A1
SCHEMBL11156491 0.68 TBXAS1 (0.61) LMNA
SCHEMBL31618947 0.67 LTA4H (0.48) MEN1LMNAKMT2ASRD5A2NPC1
SCHEMBL20024694 0.67 LTA4H (0.63) MEN1LMNAKMT2ASRD5A2NPC1
SCHEMBL9063832 0.67 TLR4 (0.50) MEN1LMNAKMT2ASRD5A2NPC1
SCHEMBL14604958 0.67 LTA4H (0.52) MEN1LMNAKMT2ASRD5A2NPC1

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 6 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
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 — — WO 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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