SCHEMBL11484157

SCHEMBL11484157

CCOc1ccc(-c2nnc(CCC3CCCCC3)nc2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ CACNA2D1 P54289 4/20 0.47
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ RORC P51449 1/20 0.38
▸ TNK2 Q07912 1/20 0.38

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
SCHEMBL11477306 0.80 GPR84 (0.51) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11478263 0.78 LMNA (0.46) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11241755 0.77 CACNA2D1 (0.47) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11472297 0.76 LMNA (0.58) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11470583 0.76 GPR84 (0.65) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11471160 0.75 LMNA (0.51) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11485851 0.74 TP53 (0.54) CACNA2D1MAPTALDH1A1MEN1HTT
SCHEMBL11484210 0.72 LMNA (0.42) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL10749961 0.72 HRH3 (0.52) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11468262 0.71 LMNA (0.47) LMNACACNA2D1MAPTALDH1A1MEN1

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