SCHEMBL9694742

SCHEMBL9694742

CCCCCCc1cnc(-c2ccc(C(N)=O)cc2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.77
▸ RAB9A P51151 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ MAPT P10636 4/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ NPC1 O15118 3/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ RARA P10276 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ STAT3 P40763 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL11749399 0.89 ALDH1A1 (0.62) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11610529 0.89 RAB9A (0.69) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11616542 0.89 RAB9A (0.69) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11753370 0.87 RAB9A (0.68) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5687511 0.87 RARB (1.00) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8534144 0.87 RARB (1.00) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9734086 0.87 RARB (1.00) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8371650 0.87 RARB (1.00) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9817507 0.87 RARB (1.00) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11612813 0.87 RAB9A (0.67) RARBRAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124068-A Liquid crystal displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-06-23 — — US disclosed
US-5043093-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-08-27 — — US disclosed
EP-0215800-A1 PYRIMIDINES. MERCK PATENT GMBH (DE) 1987-04-01 — — EP disclosed
WO-1986004060-A1 PYRIMIDINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-17 — — WO disclosed
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