SCHEMBL3661215

SCHEMBL3661215

COc1ccc2c(c1)CN(c1ccc3ncccc3c1)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ROCK2 O75116 1/20 0.42
CYP3A4 P08684 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
KMT2A Q03164 1/20 0.41
TIPARP Q7Z3E1 2/20 0.40
CHRNA7 P36544 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3662765 0.90 NPC1 (0.43) NPC1RAB9AALDH1A1ALOX15MAPT
SCHEMBL3481086 0.78 NPC1 (0.51) CCKARNPC1RAB9AALDH1A1MAPT
SCHEMBL13113411 0.78 NPC1 (0.51) CCKARNPC1RAB9AALDH1A1ALOX15
SCHEMBL219324 0.78 PDGFRB (0.59) NPC1RAB9AALDH1A1ALOX15MAPT
Hydrochloric Acid SCHEMBL11881983 0.76 PDGFRB (0.58) NPC1RAB9AALDH1A1ALOX15MAPT
Hydrochloric Acid SCHEMBL29522997 0.76 PDGFRB (0.58) NPC1RAB9AALDH1A1ALOX15MAPT
Benzene SCHEMBL28101215 0.76 PDGFRB (0.58) NPC1RAB9AALDH1A1ALOX15MAPT
Ammonia Solution, Strong SCHEMBL1598970 0.76 PDGFRB (0.58) NPC1RAB9AALDH1A1ALOX15MAPT
Ethane SCHEMBL27318292 0.76 PDGFRB (0.58) NPC1RAB9AALDH1A1ALOX15MAPT
Ethylene SCHEMBL27787596 0.75 PDGFRB (0.56) NPC1RAB9AALDH1A1ALOX15MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215074-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) 2010-08-11 EP disclosed
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