SCHEMBL29948447

SCHEMBL29948447

CCCCOC(=O)N1CC=C(c2c(C)noc2N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
PLA2G2A P14555 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ABL1 P00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RIN1 Q13671 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PRMT1 Q99873 1/20 0.33
JAK1 P23458 3/20 0.33

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
SCHEMBL23536492 0.81 PDK4 (0.49) NAMPTJAK1
SCHEMBL23536514 0.80 BRD4 (0.40) LMNASMN1; SMN2GAAMAPTTSHR
SCHEMBL29948618 0.78 KMT2A (0.38) GAAMAPTTSHRCYP3A4CYP2C19
SCHEMBL29650110 0.77 LMNA (0.47) LMNAPOLBSMN1; SMN2GAAMAPT
SCHEMBL29684579 0.76 SMN1; SMN2 (0.40) LMNAPOLBSMN1; SMN2MAPTTDP1
SCHEMBL8259131 0.74 SMN1; SMN2 (0.50) LMNAPOLBSMN1; SMN2GAAMAPT
SCHEMBL14144348 0.74 ALDH1A1 (0.54) LMNAPOLBSMN1; SMN2GAAMAPT
SCHEMBL5460918 0.73 CYP1A2 (0.43) LMNAPOLBSMN1; SMN2MAPTPLA2G2A
SCHEMBL30606972 0.73 SMN1; SMN2 (0.38) LMNAPOLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL29948559 0.72 CNR1 (0.50) LMNAPOLBSMN1; SMN2MAPTTDP1

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed