SCHEMBL8807901

SCHEMBL8807901

O=C(O)Oc1nccnc1Oc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.51
MAPT P10636 1/20 0.51
CARM1 Q86X55 2/20 0.49
PRMT6 Q96LA8 1/20 0.47
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL8343982 0.82 CARM1 (0.52) TRPA1MAPTCARM1PRMT6POLB
SCHEMBL2783268 0.77 POLB (0.60) TRPA1MAPTCARM1PRMT6POLB
SCHEMBL8343718 0.77 MAPT (0.52) TRPA1MAPTCARM1PRMT6POLB
SCHEMBL14829704 0.77 CES2 (0.47) MAPTPOLBCYP2C19
SCHEMBL377060 0.73 NAPRT (0.36) MAPT
SCHEMBL28822437 0.73 MAPT (0.46) TRPA1MAPTHTR1ASLC6A2SLC6A4
SCHEMBL1344279 0.71 MAPT (0.44) TRPA1MAPTCARM1PRMT6POLB
SCHEMBL15074711 0.71 TRPA1 (0.58) TRPA1MAPTCARM1PRMT6POLB
SCHEMBL11924845 0.71 CARM1 (0.65) TRPA1MAPTCARM1PRMT6POLB
SCHEMBL400328 0.70 TRPA1 (0.57) TRPA1MAPTCARM1PRMT6POLB

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
EP-0773934-A1 HERBICIDAL PYRAZINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-05-21 EP disclosed
WO-1996003391-A1 HERBICIDAL PYRAZINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed