SCHEMBL29951083

SCHEMBL29951083

O=Cc1nc(F)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CCR1 P32246 1/20 0.32
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2654910 0.77 CRHBP (0.39) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL29950643 0.77 ERN1 (0.34) CCR1
SCHEMBL17558638 0.76
SCHEMBL18150327 0.74 CCR1 (0.41) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL29706502 0.74 ALDH1A1 (0.35) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL29951057 0.74 ALDH1A1 (0.35) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL1584446 0.74 ALDH1A1 (0.35) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL23362591 0.70 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL29957674 0.69 NFE2L2 (0.40) ALDH1A1TDP1KMT2AHPGDHSD17B10
SCHEMBL28997057 0.69 NFE2L2 (0.40) ALDH1A1TDP1KMT2AHPGDHSD17B10

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