SCHEMBL11749399

SCHEMBL11749399

CCCCCc1ccc(-c2cnc(-c3ccc(C(N)=O)cc3)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ RARB P10826 8/20 0.61
▸ RARA P10276 1/20 0.57
▸ MTOR P42345 1/20 0.57
▸ NPC1 O15118 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ THRA P10827 2/20 0.47
▸ THRB P10828 2/20 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
SCHEMBL11561799 0.96 RARB (0.57) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL11753370 0.90 RAB9A (0.68) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL11612813 0.90 RAB9A (0.67) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL9694742 0.89 RARB (0.77) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL11610529 0.89 RAB9A (0.69) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL11616542 0.89 RAB9A (0.69) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL2241887 0.89 RARB (0.73) ALDH1A1MEN1MAPTKMT2ARARB
SCHEMBL4929717 0.87 RARB (0.73) ALDH1A1MEN1MAPTKMT2ARARB
SCHEMBL11609662 0.86 ALDH1A1 (0.60) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL9331469 0.85 MAPT (0.77) ALDH1A1RAB9AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4062798-A NEMATIC CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1977-12-13 — — US disclosed
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