SCHEMBL30503576

SCHEMBL30503576

CCn1cc(F)c2ccc(Br)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 5/20 0.38
ABCC4 O15439 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
TSHR P16473 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HIF1A Q16665 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
ATP6V1B2 P21281 1/20 0.32
TBXA2R P21731 1/20 0.32
EDNRA P25101 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
SCHEMBL26631326 1.00 KMT2A (0.38) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL25889328 0.81 KMT2A (0.36) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL25898491 0.80 KMT2A (0.38) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL30503569 0.77
SCHEMBL26631393 0.77
SCHEMBL9281179 0.73 KMT2A (0.38) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL24143608 0.70
SCHEMBL25436963 0.70 KMT2A (0.32) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL25896704 0.68 MTNR1A (0.38) KMT2AMEN1KDM4EMAPT
SCHEMBL30224284 0.67 MAOB (0.30)

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed