SCHEMBL7614145

SCHEMBL7614145

O=C1[C@@H](Br)CCN1c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ROCK2 O75116 3/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
CHKA P35790 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FPR2 P25090 1/20 0.38
DRD2 P14416 1/20 0.38
BCHE P06276 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7614138 1.00 USP2 (0.44) USP2ROCK2ALDH1A1LMNACHKA
SCHEMBL7614141 1.00 USP2 (0.44) USP2ROCK2ALDH1A1LMNACHKA
SCHEMBL31300125 0.90 ROCK2 (0.51) USP2ROCK2
SCHEMBL1514921 0.81 MEN1 (0.50) ROCK2ALDH1A1MEN1KMT2AFPR2
SCHEMBL7614501 0.80 L3MBTL1 (0.47) ROCK2DRD2FNTAFNTBHTT
SCHEMBL7614506 0.80 L3MBTL1 (0.47) ROCK2DRD2FNTAFNTBHTT
SCHEMBL7614509 0.80 L3MBTL1 (0.47) ROCK2DRD2FNTAFNTBHTT
SCHEMBL16468325 0.80 ROCK2 (0.48) ROCK2ALDH1A1LMNAMEN1KMT2A
SCHEMBL22481515 0.79 HDAC6 (0.46) ROCK2LMNA
SCHEMBL7800632 0.75 HDAC1 (0.49) ROCK2FPR2FNTAFNTBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620225-B1 Cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2002-11-13 EP disclosed
CN-1046524-C Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1999-11-17 CN disclosed
US-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
CN-1105365-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1995-07-19 CN disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed