SCHEMBL29618995

SCHEMBL29618995

O=C(O)CCCc1c(C(=O)CI)cc2ccc3cccc4ccc1c2c34

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
CYP1A2 P05177 4/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
CYP2D6 P10635 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
CYP2C19 P33261 1/20 0.41
EGFR P00533 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
HDAC3 O15379 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL8602070 0.81 KMT2A (0.74) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL8387710 0.75 KMT2A (0.71) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL113945 0.74 KMT2A (1.00) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL29385360 0.74 KMT2A (1.00) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL29441770 0.74 KMT2A (1.00) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL9334268 0.73 KMT2A (0.80) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL9740053 0.73 KMT2A (0.54) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL1133422 0.73 KMT2A (0.54) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL28852424 0.73 KMT2A (0.85) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL27758819 0.73 KMT2A (0.97) KMT2AMEN1CYP1A2KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4226156-A1 METHODS FOR DETECTING A TARGET IN A SAMPLE USING MUTATED NANOBODIES Université de Lille (FR) 2023-08-16 EP disclosed
WO-2022079032-A1 METHODS FOR DETECTING A TARGET IN A SAMPLE USING MUTATED NANOBODIES UNIVERSITE DE LILLE (FR) 2022-04-21 WO disclosed