SCHEMBL9564473

SCHEMBL9564473

CCOC(=O)c1cc(=O)c2cc([N+](=O)[O-])c(N3CCN(C)CC3)cc2n1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 3/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 9/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 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
SCHEMBL9564469 0.85 LGMN (0.41) LMNAGAAMAPTTP53ALDH1A1
SCHEMBL9564489 0.84 MEN1 (0.37) GPR174LMNAMAPTSMN1; SMN2HTT
SCHEMBL9564507 0.83 RXFP1 (0.40) GPR174MAPTALDH1A1KMT2A
SCHEMBL9564450 0.83 MEN1 (0.40) GPR174LMNAGAAMAPTSMN1; SMN2
SCHEMBL9564491 0.82 POLB (0.54) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9564488 0.74 MEN1 (0.38) GPR174LMNAGAAMAPTSMN1; SMN2
SCHEMBL9564509 0.72 MEN1 (0.38) GPR174LMNAGAAMAPTSMN1; SMN2
SCHEMBL9564487 0.72 MEN1 (0.43) LMNATP53HTTALDH1A1CYP1A2
SCHEMBL9564502 0.72 MEN1 (0.39) LMNAHTTALDH1A1KMT2A
SCHEMBL9564504 0.71 RXFP1 (0.42) MAPTALDH1A1KMT2A

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