SCHEMBL27236227

SCHEMBL27236227

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.67
▸ GFER P55789 1/20 0.67
▸ APP P05067 1/20 0.56
▸ IDE P14735 2/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ CCNK O75909 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CCND3 P30281 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ CDK6 Q00534 1/20 0.51
▸ MAPKAPK2 P49137 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CLK1 P49759 1/20 0.50

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
SCHEMBL29330592 0.86 CCND3 (0.51) RAD52GFERMEN1KMT2AMAPT
SCHEMBL27236232 0.85 GAA (0.50) RAD52GFERAPPIDEMEN1
SCHEMBL11728397 0.83 RAD52 (0.69) RAD52GFERAPPMEN1KMT2A
SCHEMBL29329139 0.82 RAD52 (0.78) RAD52GFERAPPMEN1KMT2A
SCHEMBL3709053 0.82 IDE (0.76) IDEMEN1KMT2AMAPTRXFP1
SCHEMBL14758370 0.81 RAD52 (1.00) RAD52GFERAPPMAPTGAA
SCHEMBL1873094 0.81 ALDH1A1 (0.61) IDEMEN1KMT2AMAPTGAA
SCHEMBL11812563 0.79 RAD52 (0.64) RAD52GFERAPPMEN1KMT2A
SCHEMBL30993299 0.79 IDE (0.51) IDEMEN1KMT2AMAPTRXFP1
SCHEMBL16217103 0.79 RAD52 (0.79) RAD52GFERAPPKMT2AMAPT

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
WO-2024092255-A9 4-AMINOQUINOLINES FOR TREATMENT OF MULTIDRUG RESISTANT MALARIA THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2024-07-18 — — WO disclosed
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