SCHEMBL29135403

SCHEMBL29135403

SCO[CH]c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RELA Q04206 1/20 0.33
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL9798232 0.79 ALDH1A1 (0.39) IDO1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL790911 0.75 ALDH1A1 (0.36) IDO1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL9217606 0.75 ALDH1A1 (0.36) IDO1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL2769032 0.75 ALDH1A1 (0.36) IDO1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL7054866 0.75 ALDH1A1 (0.36) IDO1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL93706 0.75 RELA (0.47) IDO1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL6111396 0.75 NPC1 (0.40) ALDH1A1TSHRLMNARELA
SCHEMBL425560 0.73 TSHR (0.50) IDO1ALDH1A1TSHRMAOBLMNA
SCHEMBL16167386 0.72 NFE2L2 (0.34) IDO1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL5410674 0.71 TRPA1 (0.39) IDO1ALDH1A1TSHRMAOBRELA

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-117355329-A VLP enterovirus vaccine 摩登纳特斯有限公司 2024-01-05 CN disclosed