SCHEMBL13448477

SCHEMBL13448477

CCC(=O)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.56
USP2 O75604 2/20 0.56
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
AKR1C3 P42330 1/20 0.53
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
CHRNA7 P36544 1/20 0.51
PHGDH O43175 1/20 0.51
MGLL Q99685 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL12781874 0.83 MAPT (0.70) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL13589640 0.81 MEN1 (0.67) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL7838852 0.79 MEN1 (0.60) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL3184169 0.78 MEN1 (0.63) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL3180448 0.77 ALDH1A1 (0.61) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL4670098 0.77 USP2 (0.72) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL12282092 0.77 MAPT (0.76) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL27610366 0.77 MAPT (0.74) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL10100896 0.77 MEN1 (0.57) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL13588798 0.77 MEN1 (0.57) KMT2AMEN1MAPTLMNANPSR1

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
WO-2010025436-A2 NITROGEN AND SULFUR-CONTAINING HETEROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2010-03-04 WO disclosed