SCHEMBL11757486

SCHEMBL11757486

COc1ccc(C(C#N)(CC(C)C(=O)Cl)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KIF11 P52732 3/20 0.36
▸ LDHA P00338 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11754785 0.87 LDHA (0.43) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL11759149 0.86 KIF11 (0.41) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6560350 0.71 CYP2D6 (0.46) KIF11CCR1
SCHEMBL8052846 0.66 HDAC1 (0.56) ALDH1A1LMNAL3MBTL1
SCHEMBL7123218 0.66 NPC1 (0.45) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL3524113 0.66 CA1 (0.52) ALDH1A1APEX1MAPK1RECQLTDP1
SCHEMBL7592144 0.64 CA1 (0.50) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL7061017 0.64 CA1 (0.50) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL11091478 0.64 NPC1 (0.46) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL9507376 0.64 ALDH1A1 (0.46) ALDH1A1LMNAALOX15APEX1MAPK1

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-4005100-A ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-01-25 — — US disclosed
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