SCHEMBL29951698

SCHEMBL29951698

O=Cc1c(Br)nn(-c2ccccc2C(F)(F)F)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HCAR1 Q9BXC0 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29954291 0.84 RXRA (0.38) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL15331493 0.81 KCNN4 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL15332760 0.78 MAPK14 (0.40) ALDH1A1KMT2AMEN1TDP1HCAR1
SCHEMBL15332955 0.74 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL29953427 0.74 HCAR1 (0.37) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL29951589 0.74 PTGS2 (0.39) MAPTCYP2D6CYP2C9KDM4EL3MBTL1
SCHEMBL2559652 0.73 CA1 (0.41) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL29955468 0.72 KMT2A (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL29952755 0.70 LMNA (0.38) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL2559655 0.70 ESR1 (0.35) L3MBTL1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed