SCHEMBL9877285

SCHEMBL9877285

O=c1n(O)ccn1Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CCR8 P51685 4/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ FAAH O00519 4/20 0.45
▸ LPO P22079 1/20 0.43
▸ TRPV6 Q9H1D0 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ DAO P14920 1/20 0.41

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
SCHEMBL10077158 0.82 KDM4E (0.47) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL19370631 0.75 DAO (0.50) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9876997 0.75 MAPK14 (0.55) KDM4EALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9878023 0.75 KLKB1 (0.35) —
SCHEMBL9877955 0.73 HDAC8 (0.49) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4481396 0.72 MAPK14 (0.70) —
SCHEMBL15923547 0.71 KMT2A (0.60) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9707415 0.70 IDH1 (0.42) ALDH1A1LMNA
SCHEMBL9707417 0.70 IDH1 (0.42) ALDH1A1LMNA
SCHEMBL9707256 0.70 PTGS1 (0.38) KDM4EALDH1A1LMNAHPGDMAPT

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
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
Send feedback