SCHEMBL7718987

SCHEMBL7718987

Nn1ccc2c(Cl)cccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 3/20 0.46
NR4A2 P43354 1/20 0.41
HSD11B1 P28845 1/20 0.36
MAPK14 Q16539 1/20 0.35
NR3C2 P08235 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KRAS P01116 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOS1 P29475 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PNMT P11086 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
SCHEMBL4953069 0.77 ALDH1A1 (0.46) NOTUMCYP1A2NR4A2LMNATSHR
SCHEMBL4953032 0.76 HTR2C (0.46) NOTUMCYP1A2LMNATSHRSMN1; SMN2
SCHEMBL3216695 0.76 HTR2A (0.50) NOTUMNR3C2SLC6A2SLC6A4ALDH1A1
SCHEMBL4071478 0.76 HTR2A (0.51) NOTUMCYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL1092615 0.76 HSD11B1 (0.57) NOTUMCYP1A2CYP2A6NR4A2HSD11B1
SCHEMBL5216668 0.71 HTR2C (0.55) CYP2A6LMNAALDH1A1
SCHEMBL13209355 0.71 NOTUM (0.50) NOTUMCYP1A2CYP2A6NR4A2HSD11B1
SCHEMBL3141727 0.71 NOTUM (0.46) NOTUMCYP1A2CYP2A6NR4A2HSD11B1
SCHEMBL28605281 0.71 NOTUM (0.50) NOTUMCYP1A2CYP2A6NR4A2HSD11B1
SCHEMBL13311382 0.71 NOTUM (0.50) NOTUMCYP1A2CYP2A6SLC6A2SLC6A4

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
US-6376426-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-04-23 US disclosed
WO-2000064889-A1 HERBICIDAL 3-(HETEROCYCL-1-YL)-URACILS AMERICAN CYANAMID COMPANY (US) 2000-11-02 WO disclosed
WO-2000064890-A1 HERBICIDAL 3-(HETEROCYCL-1-YL)-URACILS AMERICAN CYANAMID COMPANY (US) 2000-11-02 WO disclosed