SCHEMBL25200345

SCHEMBL25200345

Cc1cc(N2CCC(C(=O)O)CC2)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NEK2 P51955 3/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
NOTUM Q6P988 2/20 0.40
LRRK2 Q5S007 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL25184918 0.82 KDM4E (0.43) KDM4ELMNAJAK2JAK1TYK2
SCHEMBL30441471 0.82 KDM4E (0.43) KDM4ELMNAJAK2JAK1TYK2
SCHEMBL17977039 0.80 SMO (0.43) KDM4ECYP2C19LMNAHTTSMN1; SMN2
SCHEMBL20520106 0.79 TRPV1 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL20524392 0.79 TRPV1 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL21768430 0.77 SMO (0.54) HSD17B10L3MBTL1GAA
SCHEMBL20640242 0.77 CNR2 (0.41) KDM4EHSD17B10HPGDCYP2C19JAK2
SCHEMBL18149848 0.77 KDM4E (0.51) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL22491884 0.76 NOTUM (0.49) KDM4ECYP2C19NOTUM
SCHEMBL22655487 0.76 NOTUM (0.49) KDM4ECYP2C19NOTUM

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-2023086399-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed