SCHEMBL28883191

SCHEMBL28883191

O=NOC(=O)c1ccnc(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 7/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM5C P41229 3/20 0.36
KDM4C Q9H3R0 3/20 0.36
KDM6B O15054 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36

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
SCHEMBL1287072 0.81 KDM4C (0.55) MAPTMAPK1ALDH1A1KDM4ENPC1
SCHEMBL30378291 0.81 KDM4C (0.55) MAPTMAPK1ALDH1A1KDM4ENPC1
SCHEMBL29072870 0.79 KMT2A (0.43) MAPTMAPK1POLBALDH1A1KDM4E
SCHEMBL28404952 0.79 MAPT (0.44) MAPTMAPK1POLBCYP1A2ALDH1A1
SCHEMBL15991431 0.78 CYP1A2 (0.46) MAPTPOLBCYP1A2ALDH1A1KDM4E
SCHEMBL14825305 0.78 JMJD6 (0.53) CYP1A2LMNACYP3A4KDM5CKDM4C
Nitrous Acid SCHEMBL28883192 0.78 KDM4C (0.49) MAPTALDH1A1KDM4EKDM5CKDM4C
SCHEMBL28781584 0.77 NPC1 (0.42) MAPTMAPK1POLBALDH1A1KDM4E
SCHEMBL30560163 0.76 KDM4C (0.55) MAPTALDH1A1KDM4EKDM5CKDM4C
SCHEMBL28331934 0.76 KDM4C (0.55) MAPTALDH1A1KDM4EKDM5CKDM4C

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
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed