SCHEMBL29952236

SCHEMBL29952236

Cn1c(C=O)c(Br)c2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MEN1 O00255 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ ATM Q13315 3/20 0.40
▸ HTT P42858 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL17657914 0.81 PTGER4 (0.43) ALDH1A1KDM4EHCRTR1L3MBTL1ATM
SCHEMBL14222649 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL14222653 0.76 L3MBTL1 (0.54) ALDH1A1KDM4EL3MBTL1ATMHTT
SCHEMBL19485837 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1HCRTR1KMT2A
SCHEMBL8140534 0.72 ATM (0.53) ALDH1A1KDM4EMEN1HCRTR1KMT2A
SCHEMBL4825626 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1HCRTR1KMT2A
SCHEMBL4825621 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1HCRTR1KMT2A
SCHEMBL21978883 0.71 ATM (0.43) ALDH1A1KDM4EMEN1HCRTR1KMT2A
SCHEMBL21957282 0.71 ATM (0.46) ALDH1A1KDM4EMEN1HCRTR1KMT2A
SCHEMBL31027366 0.71 ATM (0.46) ALDH1A1KDM4EMEN1HCRTR1KMT2A

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
Send feedback