SCHEMBL13536766

SCHEMBL13536766

C=C(N)NC(=O)C(C)(C)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
RIPK1 Q13546 1/20 0.45
MMP8 P22894 1/20 0.41
LMNA P02545 3/20 0.40
RAB9A P51151 2/20 0.40
OPRK1 P41145 1/20 0.40
IDO1 P14902 1/20 0.39
RECQL P46063 1/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
PROC P04070 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL2850028 0.80 RIPK1 (0.49) SMN1; SMN2RIPK1MMP8LMNARAB9A
SCHEMBL24965924 0.77 RIPK1 (0.51) SMN1; SMN2RIPK1MMP8LMNARAB9A
SCHEMBL21605451 0.77 RIPK1 (0.51) SMN1; SMN2RIPK1MMP8LMNARAB9A
Hydrochloric Acid SCHEMBL10481433 0.75 RIPK1 (0.50) SMN1; SMN2RIPK1MMP8LMNARAB9A
SCHEMBL3458542 0.73 RIPK1 (0.45) SMN1; SMN2RIPK1MMP8LMNARAB9A
SCHEMBL21538589 0.72 RIPK1 (0.47) SMN1; SMN2RIPK1MMP8LMNARAB9A
SCHEMBL21328307 0.72 RIPK1 (0.47) SMN1; SMN2RIPK1MMP8LMNARAB9A
SCHEMBL3971356 0.71 SLC6A4 (0.47) SMN1; SMN2LMNARAB9ACYP2C19CYP1A2
SCHEMBL28634357 0.71 RIPK1 (0.46) SMN1; SMN2RIPK1MMP8LMNARAB9A
SCHEMBL320060 0.70 CA12 (0.52) SMN1; SMN2RIPK1MMP8LMNARAB9A

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-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 WO disclosed