SCHEMBL28844701

SCHEMBL28844701

O=[N+]([O-])c1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
LMNA P02545 5/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP19A1 P11511 2/20 0.57
HIF1A Q16665 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 2/20 0.57
MLNR O43193 1/20 0.57
MMP1 P03956 1/20 0.57
MPO P05164 1/20 0.57
CYP1A2 P05177 1/20 0.57
GLA P06280 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
TBXA2R P21731 1/20 0.57

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
SCHEMBL4082910 0.87 HSPB1 (0.68) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10337156 0.82 HTT (0.60) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11315551 0.82 MEN1 (0.58) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3845000 0.82 MAPT (0.58) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11874519 0.81 MAPT (0.60) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4058420 0.81 MAPT (0.60) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15391420 0.81 CYP19A1 (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13860335 0.81 HSPB1 (0.77) MAPTMEN1KMT2AHIF1AMAPK1
SCHEMBL11470258 0.81 MAPT (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1283884 0.80 HSPB1 (0.71) MAPTLMNAMEN1KMT2ASMN1; SMN2

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-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed