SCHEMBL8507573

SCHEMBL8507573

NCCNCCN(O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
BACE1 P56817 1/20 0.43
KCNH2 Q12809 4/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL11293490 0.82 CARM1 (0.47) RENCARM1PRMT6PRMT8KCNH2
SCHEMBL156219 0.81 CARM1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21121016 0.81 CARM1 (0.46) RENCARM1PRMT6PRMT8KCNH2
SCHEMBL28789449 0.79 CARM1 (0.49) RENCARM1PRMT6PRMT8KCNH2
SCHEMBL11519645 0.77 CHRM2 (0.53) CARM1PRMT6PRMT8SIGMAR1
Acetic Acid SCHEMBL28847873 0.76 REN (0.49) RENCARM1PRMT6PRMT8BACE1
SCHEMBL10537188 0.76 KCNH2 (0.43) RENCARM1PRMT6PRMT8BACE1
SCHEMBL10745991 0.75 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7946214 0.74 KCNH2 (0.42) RENCARM1PRMT6PRMT8BACE1
SCHEMBL13937398 0.74 SIGMAR1 (0.52) KCNH2SIGMAR1

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-0907379-A2 BIOACTIVATED DIAGNOSTIC IMAGING CONTRAST AGENTS Epix Medical, Inc. (US) 1999-04-14 EP disclosed
WO-1997036619-A2 BIOACTIVATED DIAGNOSTIC IMAGING CONTRAST AGENTS EPIX MEDICAL, INC. (US) 1997-10-09 WO disclosed