SCHEMBL9535151

SCHEMBL9535151

Cc1nc(N(C(N)=O)c2ccccc2[N+](=O)[O-])nc(Cl)c1CCCl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ENPP1 P22413 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
PIN1 Q13526 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32

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
SCHEMBL10400124 0.80 LMNA (0.34) LMNAHTTATMALDH1A1CYP1A2
SCHEMBL9539862 0.77 ALDH1A1 (0.35) LMNAHTTATMSMN1; SMN2ALDH1A1
SCHEMBL10400122 0.77 TAS1R3 (0.34) LMNAHTTATMHPGDSMN1; SMN2
SCHEMBL10458605 0.77 KMT2A (0.40) LMNAHTTATMSMN1; SMN2ALDH1A1
SCHEMBL9539481 0.74 KMT2A (0.37) LMNAHTTATMMAPTMEN1
SCHEMBL9818604 0.73 NPC1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL10400826 0.73 F2 (0.34) LMNAHTTATMSMN1; SMN2ALDH1A1
SCHEMBL29006882 0.71 PLAU (0.46) LMNAALDH1A1MAPTCYP1A2MEN1
SCHEMBL28424914 0.70 HSD17B10 (0.51) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9818596 0.69 MEN1 (0.36) HTTSMN1; SMN2ALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed