SCHEMBL13872280

SCHEMBL13872280

C=C1c2cc(-c3ccccc3)ccc2CN1c1ccc2cc(C)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.35
▸ DYRK1B Q9Y463 2/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ FYN P06241 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ MAP4K1 Q92918 1/20 0.30
▸ MAP3K5 Q99683 1/20 0.30

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
SCHEMBL13872303 0.88 MAP3K5 (0.43) MAP3K5
SCHEMBL13113755 0.87 MCHR1 (0.48) MCHR1CLK4DYRK1BTYRO3NTRK2
SCHEMBL13872274 0.78 MEN1 (0.32) KMT2A
SCHEMBL13872273 0.75 METAP1 (0.35) KMT2A
SCHEMBL13871899 0.75 MCHR1 (0.37) MCHR1CLK4DYRK1BTYRO3NTRK2
SCHEMBL18000158 0.75 HSD11B1 (0.46) KMT2AHSD11B1
SCHEMBL13871869 0.74 HTR2C (0.34) KMT2A
SCHEMBL13871937 0.72 MEN1 (0.36) KMT2A
SCHEMBL13871905 0.72 MEN1 (0.39) KMT2A
SCHEMBL14818556 0.72 HTR1A (0.32) KMT2A

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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