SCHEMBL8604378

SCHEMBL8604378

COc1c(CC(=O)NC(C)CN)cc(C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL8606817 0.84 HSPA5 (0.50) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL8606920 0.84 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL8608652 0.83 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL8609717 0.82 NR1H4 (0.41) MEN1KMT2A
SCHEMBL8604381 0.81 KMT2A (0.35) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL8606954 0.81 CACNA1I (0.37) MEN1KMT2A
SCHEMBL8608302 0.81 HSPA5 (0.36) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL8607391 0.81 PDCD1LG2 (0.39)
SCHEMBL8604382 0.79 CA12 (0.37) HSPA5
SCHEMBL7786605 0.76 HSPA5 (0.44) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A

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
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed