SCHEMBL7426435

SCHEMBL7426435

CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
REN P00797 1/20 0.38
HPGD P15428 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
ATM Q13315 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
VCAM1 P19320 1/20 0.36
HTT P42858 1/20 0.35
THRB P10828 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7423995 0.91 POLB (0.44) LMNAPOLB
SCHEMBL7429986 0.84 ALOX15 (0.42) RENHPGDGPR119ALDH1A1
SCHEMBL6948552 0.84 KMT2A (0.44) KMT2AMEN1HPGDATMALDH1A1
SCHEMBL6655650 0.83 KMT2A (0.43) KMT2AMEN1HPGDATMALDH1A1
SCHEMBL8329755 0.78 KMT2A (0.40) KMT2AMEN1ATMLMNAGAA
SCHEMBL8326945 0.78 KMT2A (0.40) KMT2AMEN1HPGDATMALDH1A1
SCHEMBL14498139 0.78 SLC6A4 (0.47) KMT2AALDH1A1L3MBTL1
SCHEMBL7427324 0.78 ALDH1A1 (0.46) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL6378448 0.78 KMT2A (0.44) KMT2AMEN1HPGDATMALDH1A1
SCHEMBL6948474 0.77 MAPT (0.43) KMT2AMEN1HPGDATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495545-B1 ANTIOSTEOPOROTIC, ANTIRESTENOTIC, ANTICARCINOGENIC AND ANTIATHEROSCLEROTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6339083-B1 FOR THERAPY OF OSTEOPOROSIS, RESTENOSIS, CARCINOSES AND/OR ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-15 US disclosed
EP-1140927-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2000035917-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed