SCHEMBL29623809

SCHEMBL29623809

O=[N+]([O-])c1cccc(COP(=O)(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
TSHR P16473 3/20 0.54
AKR1C3 P42330 1/20 0.54
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
F2 P00734 1/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL27675609 0.84 MAOB (0.56) MAOBMAOATSHRAKR1C3RAB9A
SCHEMBL3512311 0.82 TSHR (0.49) MAOBMAOATSHRALDH1A1KMT2A
SCHEMBL5983772 0.80 AKR1C3 (0.81) MAOBTSHRAKR1C3RAB9AALDH1A1
SCHEMBL20337575 0.80 TSHR (0.61) MAOBMAOATSHRRAB9AALDH1A1
SCHEMBL1767329 0.80 TSHR (0.65) MAOBMAOATSHRRAB9AALDH1A1
SCHEMBL2637757 0.79 TSHR (0.59) TSHRALDH1A1ALOX15LMNAGRM8
SCHEMBL2637758 0.79 TSHR (0.59) TSHRALDH1A1ALOX15LMNAGRM8
SCHEMBL28865842 0.79 MAOB (0.50) MAOBMAOATSHRRAB9AALDH1A1
SCHEMBL791926 0.78 TSHR (0.62) MAOBMAOATSHRRAB9AALDH1A1
SCHEMBL27850481 0.78 F2 (0.54) MAOBMAOATSHRRAB9AALDH1A1

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-113583020-B JAK2 inhibitor and application 百极弘烨(广东)医药科技有限公司 2022-04-22 CN disclosed