SCHEMBL9535470

SCHEMBL9535470

CCc1nc(N(C(N)=O)c2c(C)cccc2[N+](=O)[O-])nc(C(F)(F)F)c1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
P2RX1 P51575 1/20 0.32
POLB P06746 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
SCHEMBL10401161 0.89 SMN1; SMN2 (0.37) SMN1; SMN2TSHRLMNACRHBPCRHR2
SCHEMBL9504996 0.82 CYP1A2 (0.37) SMN1; SMN2LMNATDP1L3MBTL1ALDH1A1
SCHEMBL9536816 0.81 SMN1; SMN2 (0.35) SMN1; SMN2TSHRLMNATDP1L3MBTL1
SCHEMBL9538333 0.81 TP53 (0.36) SMN1; SMN2TSHRLMNATDP1L3MBTL1
SCHEMBL10400976 0.80 SMN1; SMN2 (0.37) SMN1; SMN2TSHRLMNATDP1L3MBTL1
SCHEMBL10400132 0.77 MAPT (0.41) LMNAALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL10400134 0.76 NPY1R (0.36) LMNATDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL10400912 0.76 NPY1R (0.35) SMN1; SMN2TSHRLMNATDP1L3MBTL1
SCHEMBL10400918 0.73 ALDH1A1 (0.35) SMN1; SMN2LMNAL3MBTL1ALDH1A1CYP1A2
SCHEMBL9539862 0.73 ALDH1A1 (0.35) SMN1; SMN2TSHRLMNAALDH1A1MEN1

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