SCHEMBL13872259

SCHEMBL13872259

C=C1c2cc(CC(C)C)ccc2CN1c1ccc2c(c1)cc(C)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.39
▸ KMT2A Q03164 11/20 0.39
▸ ALOX15 P16050 6/20 0.39
▸ HPGD P15428 6/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PABPC1 P11940 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ THRB P10828 3/20 0.35
▸ RECQL P46063 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL13872274 0.92 MEN1 (0.32) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13871905 0.88 MEN1 (0.39) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13113656 0.87 ALOX15 (0.43) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13871950 0.86 MEN1 (0.38) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13871966 0.84 MEN1 (0.40) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13871911 0.84 PRKCI (0.35) —
SCHEMBL13872273 0.83 METAP1 (0.35) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13871983 0.82 MEN1 (0.40) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13871869 0.81 HTR2C (0.34) MEN1KMT2AALOX15HPGDCYP1A2
SCHEMBL13871937 0.79 MEN1 (0.36) MEN1KMT2AALOX15HSD17B10PABPC1

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-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 — — WO disclosed
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