SCHEMBL11468262

SCHEMBL11468262

CCCOc1ccc(-c2nnc(OC3CCCCC3)nc2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TP53 P04637 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CACNA2D1 P54289 2/20 0.36
▸ TNK2 Q07912 1/20 0.36

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
SCHEMBL11471160 0.94 LMNA (0.51) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL11470726 0.81 TP53 (0.50) LMNACYP1A2GAAALDH1A1MAPT
SCHEMBL11469963 0.81 GAA (0.48) CYP1A2CYP2D6GAAALDH1A1MAPT
SCHEMBL11483171 0.79 RAB9A (0.49) LMNACYP1A2CYP2D6CYP2C19GAA
SCHEMBL11475908 0.76 RAB9A (0.47) CYP1A2CYP2D6CYP2C19GAAALDH1A1
SCHEMBL11467362 0.76 CYP1A2 (0.45) LMNACYP1A2CYP2D6CYP2C19GAA
SCHEMBL11483014 0.76 NQO1 (0.48) LMNACYP1A2CYP2D6CYP2C19GAA
SCHEMBL11240195 0.75 CACNA2D1 (0.49) CYP1A2GAAALDH1A1MAPTTP53
SCHEMBL11468991 0.73 WDR5 (0.37) LMNAALDH1A1MAPTNPSR1TP53
SCHEMBL11469872 0.73 CACNA2D1 (0.48) LMNAGAAALDH1A1MAPTMEN1

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
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