SCHEMBL4941001

SCHEMBL4941001

CN(C)CCN(F)S(=O)(=O)c1cccc2n[se]nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TSHR P16473 4/20 0.39
GLA P06280 2/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
C1R P00736 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL4943121 0.59 SMN1; SMN2 (0.35) LMNAMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4940386 0.58 TSHR (0.46) POLBTSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL4941118 0.58
SCHEMBL8975997 0.57 KMT2A (0.43) TSHRLMNACYP2C19MAPK1SMN1; SMN2
SCHEMBL8157279 0.56 TDP1 (0.67) ALDH1A1MAPT
SCHEMBL15509416 0.56 POLB (0.58) POLBLMNAMAPK1ALDH1A1MAPT
SCHEMBL4406145 0.55 KDM4E (0.47) POLBTSHRGLALMNACYP3A4
SCHEMBL22734548 0.55 GAA (0.49) POLBTSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL15829877 0.55 HTR2A (0.44) POLBLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL18331595 0.54 CTSB (0.42) ALDH1A1HPGDHTT

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
US-8796037-B2 Method of detection, separation and identification for expressed trace protein/peptide IMAI KAZUHIRO (JP) 2014-08-05 US disclosed
US-20080280316-A1 Mass spectrometry; liquid chromatography; automatic fractionation IMAI KAZUHIRO 2008-11-13 US disclosed