SCHEMBL13871876

SCHEMBL13871876

C=C1c2cc(-c3cncnc3)ccc2CN1c1ccc2c(c1)N(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ DRD2 P14416 3/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ BACE1 P56817 4/20 0.31
▸ CTSD P07339 3/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ PIM1 P11309 1/20 0.31

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
SCHEMBL13872246 0.89 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL13871899 0.85 MCHR1 (0.37) NOTUMLRRK2DRD2HTR6CYP11B1
SCHEMBL13871856 0.79 CYP1A2 (0.35) NOTUMPRMT5WDR77DRD2KMT2A
SCHEMBL13871879 0.79 HTR2C (0.37) NOTUMDRD2SLC6A2SLC6A4SLC6A3
SCHEMBL13871851 0.79 NPC1 (0.37) NOTUMDRD2HTR6KMT2A
SCHEMBL13872258 0.77 LRRK2 (0.41) LRRK2TNFDRD2HTR1BHTR6
SCHEMBL13871907 0.76 MAP3K5 (0.49) CYP11B1CYP11B2
SCHEMBL13871887 0.75 NOTUM (0.33) NOTUMDRD2HTR6
SCHEMBL13872329 0.74 HTR1A (0.34) DRD2
SCHEMBL13871921 0.74 ACHE (0.38) NOTUMDRD2SLC6A2SLC6A4SLC6A3

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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