SCHEMBL21089401

SCHEMBL21089401

NONOCc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.62
TAAR1 Q96RJ0 3/20 0.44
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1520931 0.77 IDO1 (1.00) IDO1TAAR1PARP10ALDH1A1
Hydrochloric Acid SCHEMBL1715773 0.75 IDO1 (1.00) IDO1TAAR1PARP10
Hydrochloric Acid SCHEMBL1715477 0.75 IDO1 (1.00) IDO1TAAR1PARP10
SCHEMBL3865796 0.72 IDO1 (0.67) IDO1TAAR1PARP10ALDH1A1MAPT
SCHEMBL11513287 0.72 IDO1 (0.67) IDO1TAAR1PARP10ALDH1A1MAPT
SCHEMBL13386702 0.72 IDO1 (0.50) IDO1TAAR1PARP10ALDH1A1MAPT
SCHEMBL28808714 0.72 PARP10 (0.51) IDO1TAAR1PARP10ALDH1A1MAPT
SCHEMBL20626905 0.70 IDO1 (0.48) IDO1TAAR1PARP10ALDH1A1MAPT
SCHEMBL8769614 0.69 IDO1 (0.47) IDO1TAAR1PARP10ALDH1A1MAPT
SCHEMBL8703610 0.69 TAAR1 (0.64) IDO1TAAR1PARP10ALDH1A1

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-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed