SCHEMBL9744935

SCHEMBL9744935

C[N+]1(Cc2[nH]c(C(=O)NN)cc(=O)c2O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 4/20 0.35
MAPK1 P28482 1/20 0.35
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
ALPI P09923 1/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
CASP6 P55212 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNA7 P36544 1/20 0.31
TERT O14746 5/20 0.30

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
SCHEMBL9741996 0.77 GAA (0.41) KDM4EALDH1A1GAAMAPK1NSD2
SCHEMBL9744587 0.77 KDM4E (0.41) KDM4EALDH1A1GAAMAPK1NSD2
SCHEMBL9744511 0.69 MAPT (0.40) KDM4EALDH1A1GAAMAPK1NSD2
Hydrochloric Acid SCHEMBL9741041 0.68 KDM4E (0.38) KDM4EALDH1A1GAAMAPK1NSD2
SCHEMBL9745897 0.68 KDM4E (0.41) KDM4EALDH1A1GAAMAPK1NSD2
SCHEMBL9746051 0.67 KDM4E (0.41) KDM4EALDH1A1GAAMAPK1NSD2
Hydrochloric Acid SCHEMBL9741412 0.65 POLB (0.37) KDM4EALDH1A1GAAMAPK1NSD2
SCHEMBL9875866 0.62 ALDH1A1 (0.47) KDM4EALDH1A1GAAMAPK1NSD2
SCHEMBL9744469 0.62 BLM (0.41) KDM4EALDH1A1GAAMAPK1NSD2
SCHEMBL9740597 0.59 BLM (0.45) KDM4EALDH1A1GAAMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112968-A Monobactam hydrazide derivatives E. R. SQUIBB & SONS, INC. (US) 1992-05-12 US claimed
US-5112968-A Monobactam hydrazide derivatives E. R. SQUIBB & SONS, INC. (US) 1992-05-12 US disclosed