SCHEMBL11468338

SCHEMBL11468338

CCCc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.53
▸ GPR84 Q9NQS5 4/20 0.53
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HRH2 P25021 1/20 0.40

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
SCHEMBL11477154 0.88 GPR84 (0.67) PTGESGPR84MAPTALDH1A1KDM4E
SCHEMBL11231246 0.87 GPR84 (0.54) PTGESGPR84ALDH1A1KDM4ELMNA
SCHEMBL11477306 0.86 GPR84 (0.51) GPR84MAPTALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9695495 0.84 MAOB (0.53) PTGESGPR84ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9695587 0.81 GPR84 (0.52) PTGESGPR84ALDH1A1KDM4ELMNA
SCHEMBL9696190 0.79 GPR84 (0.51) PTGESGPR84MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9694156 0.78 GPR84 (0.50) PTGESGPR84MAPTALDH1A1KDM4E
SCHEMBL11238109 0.78 KDM4E (0.51) PTGESGPR84MAPTALDH1A1KDM4E
SCHEMBL11484072 0.77 GPR84 (0.53) PTGESGPR84MAPTALDH1A1KDM4E
SCHEMBL11466772 0.77 GPR84 (0.53) GPR84MAPTALDH1A1KDM4ENPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 — — US disclosed
US-4021553-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-03 — — US disclosed
Send feedback