SCHEMBL29210282

SCHEMBL29210282

Nc1ccc(Oc2ccc(-c3cc(N)ccc3S(N)(=O)=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAOA P21397 2/20 0.40

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
SCHEMBL29210279 0.90 MAOB (0.50) ALDH1A1HTTMAPTSMN1; SMN2MEN1
SCHEMBL671916 0.90 CA1 (0.50) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL8023017 0.80 NPC1 (0.46) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL30687380 0.80 NPC1 (0.46) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL7761842 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL28829377 0.77 CA2 (0.49) CA12CA1CA2CA9CA14
SCHEMBL2126111 0.77 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL30764868 0.77 PTGS1 (0.47) TDP1TSHRCA12CA1CA2
SCHEMBL11882155 0.77 AKT1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL8012548 0.76 CA1 (0.51) CA12CA1CA2CA9CA14

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-117984624-A High-heat-conductivity metal substrate and preparation method thereof 昆山雅森电子材料科技有限公司 2024-05-07 CN disclosed