SCHEMBL11501786

SCHEMBL11501786

CN(CCNC(N)=NC(=O)Nc1ccc(Cl)cc1)CCN(C)CCNC(N)=NC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 5/20 0.42
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 2/20 0.40
ADRA2A P08913 2/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL11501930 0.91 TMEM97 (0.46) LMNAPOLBTSHRNPC1MEN1
SCHEMBL11668325 0.82 CNR1 (0.50) LMNATSHRNPC1MEN1KMT2A
SCHEMBL11501627 0.82 CNR1 (0.50) LMNATSHRNPC1MEN1KMT2A
SCHEMBL11674067 0.82 CNR1 (0.50) LMNATSHRNPC1MEN1KMT2A
SCHEMBL11501942 0.75 TP53 (0.56) POLBMAPTSMN1; SMN2CNR1SIGMAR1
SCHEMBL11668323 0.70 ALDH1A1 (0.50) MEN1KMT2AGAAMAPTCNR1
SCHEMBL11501785 0.69 TSHR (0.54) LMNAPOLBTSHRNPC1MEN1
SCHEMBL2275794 0.69 POLB (0.68) LMNAPOLBNPC1MEN1KMT2A
SCHEMBL11668293 0.69 FPR2 (0.48) MEN1KMT2ASIGMAR1
SCHEMBL11668446 0.68 HTR3E (0.68) LMNANPC1MEN1KMT2AHTT

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-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US claimed