SCHEMBL28996363

SCHEMBL28996363

Nc1ccccc1Cn1cnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.67
CYP11B2 P19099 8/20 0.67
TNF P01375 2/20 0.60
TDP1 Q9NUW8 1/20 0.58
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 4/20 0.54
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL30826274 0.88 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL4142913 0.88 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
Hydrochloric Acid SCHEMBL31253891 0.86 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
Bromide SCHEMBL31253900 0.86 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL20550865 0.81 CYP11B1 (0.69) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL8618130 0.80 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL7212277 0.80 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL7215799 0.80 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL30322779 0.80 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL15575202 0.79 CYP11B1 (0.53) CYP11B1CYP11B2TNFTDP1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907733-A High-corrosion-resistance magnesium-aluminum alloy chromium-free fingerprint-resistant coating liquid and preparation method thereof 安徽未来表面技术有限公司 2022-08-16 CN claimed
CN-114907733-A High-corrosion-resistance magnesium-aluminum alloy chromium-free fingerprint-resistant coating liquid and preparation method thereof 安徽未来表面技术有限公司 2022-08-16 CN disclosed