SCHEMBL9564509

SCHEMBL9564509

CCOC(=O)c1cc(=O)c2c(N)c([N+](=O)[O-])c(N3CCN(C)CC3)c(F)c2n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 8/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK10 P53779 1/20 0.34
GPR174 Q9BXC1 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
GAA P10253 1/20 0.32
HTR2C P28335 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CASP6 P55212 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9564488 0.92 MEN1 (0.38) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9564459 0.89 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL9564450 0.82 MEN1 (0.40) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9564487 0.81 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL9564489 0.78 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1MAPK10
SCHEMBL9564474 0.75 KDM4E (0.39) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9564502 0.75 MEN1 (0.39) MEN1KMT2AALDH1A1MAPK10LMNA
SCHEMBL1345175 0.75 STAT3 (0.44) KMT2AALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL9564473 0.72 GPR174 (0.44) KMT2AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9564507 0.70 RXFP1 (0.40) MEN1KMT2AMAPTALDH1A1GPR174

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