SCHEMBL19554332

SCHEMBL19554332

N#Cc1ccc([N+](=O)[O-])cc1OC(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.50
LMNA P02545 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 4/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.38
PTGES O14684 1/20 0.38
XDH P47989 1/20 0.38
RECQL P46063 1/20 0.38

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
Carbamic Acid SCHEMBL28603825 0.84 VCAM1 (0.47) VCAM1LMNAALDH1A1MAPTMEN1
SCHEMBL8609293 0.80 MAPT (0.51) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL1644299 0.80 HTT (0.60) VCAM1LMNAALDH1A1MAPTKMT2A
SCHEMBL29739501 0.78 ALDH1A1 (0.53) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3639867 0.78 ALDH1A1 (0.53) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL16943483 0.77 VCAM1 (0.48) VCAM1LMNAALDH1A1MAPTGAA
SCHEMBL13226017 0.76 HSD17B10 (0.55) VCAM1LMNAALDH1A1MAPTMEN1
SCHEMBL22954121 0.76 ALDH1A1 (0.51) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL29739648 0.76 TSHR (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL30135030 0.76 MEN1 (0.45) LMNAALDH1A1MAPTMEN1KMT2A

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed