SCHEMBL23714890

SCHEMBL23714890

CC1(C#N)CCNc2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
RARA P10276 1/20 0.36
BRD4 O60885 1/20 0.32
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
PGR P06401 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSPA9 P38646 3/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
AKR1B1 P15121 1/20 0.31
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30
TP53 P04637 1/20 0.30
APP P05067 1/20 0.30
BACE1 P56817 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
SCHEMBL23714634 0.83 RARB (0.36) RARBRARGRARAGAAHSPA9
SCHEMBL1396642 0.79 RARB (0.49) RARBRARGRARABRD4CMA1
SCHEMBL23714713 0.77 RARB (0.55) RARBRARGRARAHSPA9
SCHEMBL23714715 0.77 RARB (0.55) RARBRARGRARAHSPA9
SCHEMBL30058891 0.74 KDM1A (0.46) CMA1AHRAPPBACE1
SCHEMBL23704864 0.74 KDM1A (0.46) CMA1AHRAPPBACE1
SCHEMBL23715375 0.71 BACE1 (0.33) RARBRARGRARABRD4CMA1
SCHEMBL23706042 0.70 BACE1 (0.40) RARBRARGRARALMNAAKR1B1
SCHEMBL6224511 0.69 RARB (0.49) RARBRARGRARACMA1AHR
SCHEMBL30885033 0.69 RARB (0.49) RARBRARGRARACMA1AHR

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-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed