SCHEMBL10698593

SCHEMBL10698593

NC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD11B1 P28845 2/20 0.46
NPC1 O15118 1/20 0.46
HTR2A P28223 3/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10699537 0.85 HSD11B1 (0.53) LMNASMN1; SMN2HSD11B1HTR2AALDH1A1
SCHEMBL10698595 0.81 HSD11B1 (0.46) LMNAHSD11B1NPC1HTR2AALDH1A1
SCHEMBL7300582 0.79 LMNA (0.51) LMNAHTR2AKDM4ECYP1A2CYP3A4
SCHEMBL9374409 0.77 KMT2A (0.52) LMNASMN1; SMN2HTR2AALDH1A1CYP2D6
SCHEMBL6009365 0.76 HTR2A (0.46) LMNASMN1; SMN2HTR2AKDM4ECYP1A2
SCHEMBL5756938 0.75 HTR2A (0.52) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5756941 0.73 GAA (0.46) LMNASMN1; SMN2HSD11B1ALDH1A1CYP1A2
SCHEMBL3838687 0.71 HTR2A (0.61) LMNASMN1; SMN2HTR2AKDM4ECYP1A2
SCHEMBL3838690 0.71 HTR2A (0.61) LMNASMN1; SMN2HTR2AKDM4ECYP1A2
SCHEMBL3838692 0.71 HTR2A (0.61) LMNASMN1; SMN2HTR2AKDM4ECYP1A2

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-0294183-A1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO CO., INC. (JP) 1988-12-07 EP disclosed