SCHEMBL4600537

SCHEMBL4600537

NCC(N)(C(=O)ON)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
KIF11 P52732 8/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6324059 0.84 KCNN4 (0.56) KCNN4TAAR1CYP1A2CYP2D6MAPT
SCHEMBL27579783 0.81 PIN1 (0.49) KCNN4TAAR1MAPTKMT2ASMN1; SMN2
SCHEMBL1624876 0.81 CYP2C19 (0.44) KCNN4TAAR1CYP1A2CYP2D6KIF11
SCHEMBL1081535 0.80 CYP1A2 (0.47) KCNN4TAAR1CYP1A2CYP2D6KIF11
SCHEMBL9293537 0.80 ALDH1A1 (0.47) CYP1A2CYP2D6KMT2ACYP2C19
SCHEMBL8762498 0.80 ALDH1A1 (0.47) CYP1A2CYP2D6KMT2ACYP2C19
SCHEMBL9293536 0.80 ALDH1A1 (0.47) CYP1A2CYP2D6KMT2ACYP2C19
Acetic Acid SCHEMBL23121530 0.78 CYP2C19 (0.42) KCNN4TAAR1CYP1A2CYP2D6KIF11
SCHEMBL1083233 0.76 KCNN4 (0.45) KCNN4CYP1A2CYP2D6KIF11MAPT
SCHEMBL11778673 0.76 KCNN4 (0.45) KCNN4CYP1A2CYP2D6KIF11MAPT

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
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed