SCHEMBL6864005

SCHEMBL6864005

Cc1ccn(OP(=O)(O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLAU P00749 2/20 0.33
ELANE P08246 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
F2 P00734 1/20 0.33
KLKB1 P03952 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
PKM P14618 1/20 0.30

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
Phosphoric Acid SCHEMBL7647885 0.69 RAB9A (0.42) NOS1MAPTGAARAB9AKDM4E
SCHEMBL1074276 0.69 SRC (0.30)
SCHEMBL4610295 0.67 GAA (0.40) NOS1MAPTGAARAB9AKDM4E
SCHEMBL6864446 0.67 KDM4E (0.30) GAARAB9AKDM4E
SCHEMBL28795925 0.61 FDPS (0.44) KDM4EALDH1A1TSHR
SCHEMBL668855 0.61 FDPS (0.40) NOS1
SCHEMBL3486001 0.61 FOLH1 (0.34)
Pyrophosphoric Acid SCHEMBL28579050 0.60 LMNA (0.56) GAAALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL3486091 0.60 SRC (0.39) MAPTGAARAB9AKDM4EALDH1A1
P-Xylene SCHEMBL28910761 0.58 LMNA (0.68) GAARAB9AALDH1A1LMNATSHR

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-6802882-B2 FERTILIZATION MIXTURE CONTAINING PYRAZOLE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed
US-6488734-B1 STORAGE STABILITY USING PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-12-03 US disclosed
US-6139596-A N-HYDROXYMETHYL-4-CHLORO-3-METHYLPYRAZOLE, N-HYDROXYMETHYL-3,4-DIMETHYL PYRAZOLE, AND SALTS AS NITRIFICATION INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-10-31 US disclosed