SCHEMBL11616542

SCHEMBL11616542

CCCCCCc1ccc(-c2ncc(C(N)=O)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ KDM4E B2RXH2 3/20 0.69
▸ HPGD P15428 2/20 0.69
▸ USP2 O75604 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ RARB P10826 8/20 0.64
▸ RARA P10276 1/20 0.56
▸ MTOR P42345 1/20 0.56
▸ NPC1 O15118 3/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SPHK1 Q9NYA1 1/20 0.49
▸ THRA P10827 5/20 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
SCHEMBL11610529 1.00 RAB9A (0.69) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL11753370 0.99 RAB9A (0.68) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL11612813 0.99 RAB9A (0.67) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL11609662 0.94 ALDH1A1 (0.60) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL11749399 0.89 ALDH1A1 (0.62) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL9694742 0.89 RARB (0.77) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL11612424 0.88 SMN1; SMN2 (0.51) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL9745075 0.87 RARB (0.79) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL9745699 0.87 RARB (0.79) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL11614238 0.87 RARB (0.79) RAB9AALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066570-A OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS HOFFMAN-LA ROCHE INC. (US) 1978-01-03 — — US disclosed
US-4062798-A NEMATIC CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1977-12-13 — — US disclosed
US-3997536-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1976-12-14 — — US disclosed
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