SCHEMBL8487666

SCHEMBL8487666

Cc1cnc2c([N+](=O)[O-])cccc2c1N(C)C(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 4/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
NOS1 P29475 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOS2 P35228 1/20 0.40
BLM P54132 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8490257 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL8490072 0.82 LMNA (0.45) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL8489604 0.81 KDM4E (0.37) KMT2ATDP1KDM4ENPC1
SCHEMBL8492290 0.77 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL8485947 0.75 MCOLN3 (0.46) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL8489642 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL6537483 0.73 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL6537450 0.71 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8488589 0.71 MEN1 (0.44) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL8486730 0.70 MEN1 (0.49) ALDH1A1MEN1KMT2ATDP1KDM4E

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-1999021835-A1 QUINOLINE DERIVATIVES AS H+-ATPase INHIBITORS AND AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed