SCHEMBL9876997

SCHEMBL9876997

O=c1n(O)ccn1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.55
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.50
▸ S1PR5 Q9H228 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ FFAR1 O14842 1/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ NR4A3 Q92570 1/20 0.48
▸ TP53 P04637 3/20 0.47

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 0.85 KDM4E (0.47) MAPK14RAB9ALMNAHDAC6TP53
SCHEMBL9877955 0.79 HDAC8 (0.49) LMNAPTGS1HDAC6TP53SMN1; SMN2
SCHEMBL9877285 0.75 KDM4E (0.47) LMNATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL18001993 0.73 MAPK14 (0.52) MAPK14NPC1RAB9AHRH3S1PR5
SCHEMBL31667461 0.73 MAPK14 (0.56) MAPK14NPC1RAB9AHRH3S1PR5
SCHEMBL27478800 0.73 F2 (0.54) MAPK14LMNAHDAC6TP53SMN1; SMN2
SCHEMBL28238241 0.72 NPC1 (0.56) MAPK14NPC1RAB9AHRH3S1PR5
SCHEMBL4470817 0.72 MAPK14 (0.87) MAPK14NPC1HRH3S1PR5SMN1; SMN2
SCHEMBL31599546 0.72 MAPK14 (0.61) MAPK14NPC1RAB9AHRH3S1PR5
SCHEMBL6192092 0.71 HTR6 (0.59) MAPK14NPC1RAB9ALMNACYP1A2

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
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