SCHEMBL11099232

SCHEMBL11099232

CCN(CC)CCNC(=O)c1c(O)c2ccccc2c2nc3ccccc3nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 6/20 0.51
EGFR P00533 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
POLR1A O95602 2/20 0.49
LMNA P02545 2/20 0.49
KCNH2 Q12809 2/20 0.49
ABCB11 O95342 1/20 0.49
SCN1A P35498 1/20 0.49
OPRK1 P41145 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN5A Q14524 1/20 0.49

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
SCHEMBL11096783 0.86 KDM4E (0.51) KDM4EALDH1A1EGFRSMN1; SMN2CYP1A2
SCHEMBL11088487 0.83 MEN1 (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11099295 0.81 TOP2A (0.43) KDM4ESMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL11090325 0.79 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2CYP1A2MEN1
SCHEMBL11079267 0.79 KMT2A (0.40) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10872150 0.78 CSNK2A1 (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11099225 0.77 TACR3 (0.41) KDM4EALDH1A1SMN1; SMN2CYP1A2MEN1
SCHEMBL11099229 0.75 TACR3 (0.38) KDM4EALDH1A1SMN1; SMN2CYP1A2MEN1
SCHEMBL9525642 0.75 KDM4E (0.51) KDM4EALDH1A1EGFRSMN1; SMN2CYP1A2
SCHEMBL10371855 0.75 RAD52 (0.44) ALDH1A1EGFRSMN1; SMN2CYP1A2POLR1A

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
US-4472578-A Benzo[a]phenazine antimicrobials TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed