SCHEMBL24933586

SCHEMBL24933586

O=CCOc1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NSD2 O96028 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL5452264 0.82 ALDH1A1 (0.56) GAAALDH1A1HPGDMAPK1
SCHEMBL20578753 0.81 POLB (0.50) POLBPKMCTSLCTSSCTSK
SCHEMBL2094490 0.79 KDM4E (0.44) KDM4EPOLBPKMAAK1L3MBTL1
SCHEMBL15758450 0.79 SMN1; SMN2 (0.50) KDM4EPOLBPKML3MBTL1SMN1; SMN2
SCHEMBL14290417 0.79 PTGDR2 (0.64) POLBPTGDR2L3MBTL1MAPTSMN1; SMN2
SCHEMBL5000471 0.79 KDM4E (0.48) KDM4EPOLBPKMSMN1; SMN2ALDH1A1
SCHEMBL15677337 0.77 KDM4E (0.42) KDM4EPOLBPKMAAK1L3MBTL1
SCHEMBL14290421 0.76 PTGDR2 (0.62) PTGDR2MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL31083916 0.76 PTGDR2 (0.53) KDM4EPOLBPTGDR2L3MBTL1GAA
SCHEMBL1509935 0.76 HPGD (0.51) AAK1L3MBTL1GAASMN1; SMN2ALDH1A1

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-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed