SCHEMBL8604381

SCHEMBL8604381

COc1c(CC(=O)NCC(C)N)cc(C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
HSPA5 P11021 1/20 0.35
HPGD P15428 2/20 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
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 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
SCHEMBL8607340 0.88 KMT2A (0.36) KMT2AHSPA5CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8606819 0.84 HSPA5 (0.50) KMT2AHSPA5HPGDCYP2C9CYP2C19
SCHEMBL8606923 0.84 KMT2A (0.34) KMT2AHPGDHTTMEN1NPC1
SCHEMBL8608302 0.83 HSPA5 (0.36) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL8608655 0.83 KMT2A (0.43) KMT2AHPGDSMN1; SMN2MEN1NPC1
SCHEMBL8609718 0.82 NPC1 (0.42) KMT2AHPGDHTTMEN1NPC1
SCHEMBL8604378 0.81 HSPA5 (0.35) KMT2AHSPA5CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8604382 0.81 CA12 (0.37) HSPA5
SCHEMBL8606956 0.81 KMT2A (0.40) KMT2AHPGD
SCHEMBL8607392 0.81 PDCD1LG2 (0.39) POLB

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