SCHEMBL9564506

SCHEMBL9564506

CCOC(=O)C1C(=O)Cc2cc([N+](=O)[O-])c(N3CCN(C)CC3)nc2N1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.37
VCAM1 P19320 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TNF P01375 1/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
S100A4 P26447 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR174 Q9BXC1 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 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
SCHEMBL9564507 0.71 RXFP1 (0.40) MAPTALDH1A1MEN1KMT2AGPR174
SCHEMBL3436166 0.64 MAPT (0.57) MAPTALDH1A1HTTVCAM1TP53
SCHEMBL4706571 0.64 MAPT (0.60) MAPTALDH1A1HTTVCAM1TP53
SCHEMBL9686897 0.63 CSF1R (0.37) LMNA
SCHEMBL22587615 0.63 PLK1 (0.42) POLB
SCHEMBL30018889 0.63 PLK1 (0.42) POLB
SCHEMBL9686893 0.63 DPP4 (0.46) MAPTALDH1A1LMNA
SCHEMBL10278259 0.62 MAPT (0.55) MAPTALDH1A1HTTVCAM1TP53
SCHEMBL9564473 0.62 GPR174 (0.44) MAPTALDH1A1HTTTP53LMNA
SCHEMBL9564489 0.61 MEN1 (0.37) MAPTALDH1A1HTTLMNAMEN1

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
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed