SCHEMBL19014121

SCHEMBL19014121

C=NOCc1cc2c(Cl)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.42
RHEB Q15382 7/20 0.38
FLT3 P36888 2/20 0.37
PCSK9 Q8NBP7 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
NOS1 P29475 1/20 0.33

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
SCHEMBL28189726 0.77 DAO (0.49) DAORHEBFLT3PCSK9HRH4
SCHEMBL4979042 0.77 DAO (0.51) DAORHEBFLT3PCSK9HRH4
SCHEMBL19013674 0.75 DAO (0.50) DAORHEBFLT3PCSK9HRH4
SCHEMBL5917425 0.74 DAO (0.49) DAORHEBFLT3PCSK9HRH4
SCHEMBL4561870 0.74 RHEB (0.57) DAORHEBFLT3HRH4
SCHEMBL6448492 0.71 RHEB (0.56) DAORHEBFLT3HRH4NOS1
SCHEMBL4561367 0.71 RHEB (0.36) DAORHEBFLT3PCSK9HRH4
SCHEMBL1439650 0.69 DAO (0.51) DAORHEBFLT3HRH4
SCHEMBL30468720 0.69 DAO (0.51) DAORHEBFLT3HRH4
SCHEMBL152992 0.68 MTNR1A (0.47) DAOFLT3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed