SCHEMBL8105747

SCHEMBL8105747

CCN(CC)C(=O)n1cnc(SC2CCCc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 7/20 0.41
HTT P42858 3/20 0.41
XBP1 P17861 1/20 0.41
NTRK1 P04629 4/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.39
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP1A2 P05177 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
SCHEMBL7660067 0.70 LMNA (0.37) POLBALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL5380528 0.70 USP1 (0.34) NTRK1SMN1; SMN2MEN1KMT2APKM
SCHEMBL10509918 0.69 DPP4 (0.35) POLBTSHRLMNA
SCHEMBL9015529 0.69 NPC1 (0.51) POLBALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL11035938 0.68 MAPT (0.54) HTTSMN1; SMN2TSHRHPGDMEN1
SCHEMBL9378936 0.67 LMNA (0.36) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL9491268 0.67 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL10509749 0.66 NPC1 (0.35) POLBALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL7467032 0.65 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2TSHRLMNA
SCHEMBL7661186 0.65 POLB (0.35) POLBALDH1A1SMN1; SMN2LMNAMEN1

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
JP-2000290263-A TRIAZOLE DERIVATIVE, ITS PRODUCTION AND AGROCHEMICAL CONTAINING THE COMPOUND SAGAMI CHEM RES CENTER 2000-10-17 JP disclosed