SCHEMBL23728850

SCHEMBL23728850

O=[N+]([O-])c1cnc(Cl)cc1NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
SIRT5 Q9NXA8 1/20 0.54
PKM P14618 4/20 0.52
KMT2A Q03164 2/20 0.52
PIN1 Q13526 3/20 0.51
HTR6 P50406 2/20 0.50
POLB P06746 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL15740633 0.87 MAPT (0.53) MAPTSIRT5KMT2APIN1HTR6
SCHEMBL3952581 0.85 POLB (0.56) MAPTNPC1RAB9ASIRT5PKM
SCHEMBL15740611 0.84 MAPT (0.49) MAPTNPC1RAB9ASIRT5PKM
SCHEMBL15740729 0.77 L3MBTL1 (0.53) MAPTNPC1PKMPOLBSMN1; SMN2
SCHEMBL14841617 0.77 PIN1 (0.62) MAPTNPC1RAB9ASIRT5KMT2A
SCHEMBL4002405 0.77 L3MBTL1 (0.58) MAPTPKMKMT2APIN1POLB
SCHEMBL3449318 0.76 PGK1 (0.48) MAPTPKMSMN1; SMN2
SCHEMBL30578486 0.76 LMNA (0.65) MAPTNPC1RAB9APKMKMT2A
SCHEMBL103245 0.76 KMT2A (0.63) MAPTNPC1RAB9APKMKMT2A
SCHEMBL16489562 0.76 CTSB (0.57) MAPTPKMKMT2APIN1

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-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed