SCHEMBL10864019

SCHEMBL10864019

NC(N)=NOCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.52
AGXT P21549 2/20 0.52
MAOB P27338 6/20 0.45
PARP10 Q53GL7 1/20 0.45
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
PLAU P00749 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CA12 O43570 1/20 0.41
CCR5 P51681 1/20 0.40
S1PR1 P21453 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL10862647 0.80 IDO1 (0.52) IDO1AGXTMAOBSLC22A2SLC22A1
SCHEMBL16202052 0.80 SMN1; SMN2 (0.47) IDO1AGXTMAOBCA12S1PR1
SCHEMBL8096704 0.79 ALDH1A1 (0.53) IDO1AGXTPARP10SLC22A2
Hydrochloric Acid SCHEMBL6747559 0.78 SMN1; SMN2 (0.51) IDO1AGXTMAOBPARP10SLC22A2
Hydrochloric Acid SCHEMBL6672174 0.77 MAOB (0.51) IDO1AGXTMAOBPARP10LOXL2
Hydrochloric Acid SCHEMBL6794609 0.77 MAOB (0.51) IDO1AGXTMAOBPARP10LOXL2
SCHEMBL17986215 0.74 IDO1 (0.54) IDO1AGXTMAOBPARP10LOXL2
SCHEMBL9864779 0.73 LMNA (0.41) IDO1AGXTMAOBPARP10CA12
SCHEMBL27532065 0.72 IDO1 (0.52) IDO1AGXTMAOBLOXL2CA12
Acetic Acid SCHEMBL27905814 0.72 ALDH1A1 (0.52) MAOBPARP10

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-0203220-A1 Benzolactamsultams BAYER AG (DE) 1986-12-03 EP disclosed