SCHEMBL13871978

SCHEMBL13871978

C=C1c2cc(N(C)C)ccc2CN1c1ccc2c(ccn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.38
▸ KDM1A O60341 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ HTR6 P50406 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PIK3CB P42338 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
SCHEMBL13113728 0.86 ALDH1A1 (0.39) PRKCIKDM1ACYP2A6HTR6HTR1A
SCHEMBL13872293 0.85 HTR6 (0.31) HTR6
SCHEMBL13872269 0.84 PRKCI (0.40) PRKCICYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL13872217 0.83 PRKCI (0.39) PRKCICYP2A6HTR2ASLC6A2SLC6A4
SCHEMBL13871842 0.83 PRKCI (0.39) PRKCICYP2A6HTR2AHTR7SLC6A2
SCHEMBL13871952 0.83 PRKCI (0.39) PRKCICYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL14818556 0.83 HTR1A (0.32) HTR6HTR1AHTR2AHTR7ALDH1A1
SCHEMBL13872131 0.82 PRKCI (0.42) PRKCICYP2A6HTR6SLC6A2SLC6A4
SCHEMBL13872134 0.81 PRKCI (0.38) PRKCICYP2A6HTR7SLC6A2SLC6A4
SCHEMBL14818629 0.81 PRKCI (0.38) PRKCICYP2A6SLC6A2SLC6A4SLC6A3

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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