SCHEMBL25002872

SCHEMBL25002872

N=c1sccn1-c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMP22 Q01453 1/20 0.41
POLB P06746 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
KDM4E B2RXH2 1/20 0.36
INMT O95050 2/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL23749749 0.74 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL23749754 0.74 ALDH1A1 (0.42) TDP1ALDH1A1KMT2ALMNACYP2D6
SCHEMBL30130841 0.74 INMT (0.36) ALDH1A1KMT2AHCAR1INMT
SCHEMBL23749772 0.74 INMT (0.36) ALDH1A1KMT2AHCAR1INMT
SCHEMBL25001926 0.71 KMT2A (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL23749750 0.70 GAA (0.46) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL23727071 0.69 INMT (0.41) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL9226972 0.68 TDP1 (0.36) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5664153 0.66 MAPT (0.47) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL12572956 0.64 TDP1 (0.45) TDP1ALDH1A1KMT2AMAPTMEN1

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-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed