SCHEMBL9707413

SCHEMBL9707413

CN(O)C(=O)c1cccc(COc2ccc3ccccc3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ XBP1 P17861 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ LMNA P02545 1/20 0.55
▸ ALOX5 P09917 3/20 0.54
▸ F2 P00734 1/20 0.53
▸ TP53 P04637 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL10466517 0.84 MAOB (0.69) ALOX5KMT2A
SCHEMBL9301215 0.82 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2RAB9AALOX5TP53
SCHEMBL9707333 0.81 MRGPRX4 (0.70) MRGPRX4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22480908 0.79 MRGPRX4 (0.73) MRGPRX4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9877598 0.76 ALOX5 (0.68) ALOX5
SCHEMBL3302319 0.75 CES2 (0.59) SMN1; SMN2MAPTTDP1TP53PKM
SCHEMBL9877476 0.75 PTGER1 (0.56) MRGPRX4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8752850 0.74 ALOX5 (0.71) MRGPRX4SMN1; SMN2NPC1RAB9AMAPT
Methyl Alcohol SCHEMBL29235268 0.74 ALOX5 (0.89) MRGPRX4NPC1RAB9AMAPTLMNA
SCHEMBL30678236 0.74 MAOB (0.66) MRGPRX4KMT2A

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
Send feedback