SCHEMBL11612813

SCHEMBL11612813

CCCCCc1ccc(-c2ncc(C(N)=O)cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ MAPT P10636 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ USP2 O75604 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ RARB P10826 7/20 0.62
▸ RARA P10276 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ NPC1 O15118 3/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ SPHK1 Q9NYA1 1/20 0.47
▸ THRA P10827 4/20 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
SCHEMBL11610529 0.99 RAB9A (0.69) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11616542 0.99 RAB9A (0.69) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11753370 0.97 RAB9A (0.68) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11609662 0.95 ALDH1A1 (0.60) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11749399 0.90 ALDH1A1 (0.62) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11612424 0.89 SMN1; SMN2 (0.51) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9694742 0.87 RARB (0.77) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11610777 0.87 RARB (0.76) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11561799 0.86 RARB (0.57) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9745075 0.85 RARB (0.79) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E

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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