SCHEMBL30908291

SCHEMBL30908291

Cc1cc2ccc(CBr)cc2nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GFER P55789 1/20 0.36
KDM4E B2RXH2 5/20 0.36
HIF1A Q16665 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TTR P02766 1/20 0.35
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
PABPC1 P11940 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TERT O14746 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL9730661 0.84 KMT2A (0.44) KMT2ANPSR1ALDH1A1CYP3A4CYP2C19
SCHEMBL30908250 0.83 HSD17B10 (0.46) KMT2ANPSR1ALDH1A1CYP3A4CYP2C19
SCHEMBL29911266 0.77 BACE1 (0.46) KMT2ANPSR1ALDH1A1CYP3A4CYP2C19
SCHEMBL3614209 0.77 BACE1 (0.46) KMT2ANPSR1ALDH1A1CYP3A4CYP2C19
SCHEMBL11436664 0.76 TDP1 (0.44) KMT2ANPSR1ALDH1A1CYP3A4CYP2C19
SCHEMBL3835940 0.76 KMT2A (0.62) KMT2ANPSR1ALDH1A1CYP1A2KDM4E
SCHEMBL8302695 0.76 POLB (0.48) KMT2ANPSR1ALDH1A1CYP3A4CYP2C19
SCHEMBL17221732 0.74 CYP1A2 (0.55) CYP1A2KDM4ELMNA
SCHEMBL1599287 0.74 NOS1 (0.38) CYP3A4CYP2C19KDM4EHIF1ACYP4F2
SCHEMBL12970077 0.73 KMT2A (0.42) KMT2ANPSR1ALDH1A1CYP3A4CYP2C19

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed