SCHEMBL31435522

SCHEMBL31435522

O=C(c1ccccc1)n1ccc2cc(Cl)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
TSHR P16473 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
OXER1 Q8TDS5 2/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
PPARG P37231 1/20 0.51
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
SLC22A12 Q96S37 2/20 0.44
TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL5069167 0.83 TSHR (0.68) RAB9ATSHRL3MBTL1HDAC3HDAC4
SCHEMBL28615748 0.82 OXER1 (0.50) RAB9ATSHRL3MBTL1OXER1KMT2A
SCHEMBL28271851 0.82 RAB9A (0.59) RAB9ATSHRL3MBTL1HDAC3HDAC4
SCHEMBL2659180 0.82 OXER1 (0.63) RAB9ATSHRL3MBTL1OXER1CCR2
SCHEMBL2768807 0.81 RAB9A (0.66) RAB9ATSHRL3MBTL1HDAC3HDAC4
SCHEMBL5431558 0.81 RAB9A (0.66) RAB9ATSHRL3MBTL1HDAC3HDAC4
SCHEMBL28271844 0.81 KCNK3 (0.59) RAB9ATSHRL3MBTL1PPARGACHE
SCHEMBL28270315 0.81 GRM4 (0.52) RAB9ATSHRL3MBTL1HDAC3HDAC4
SCHEMBL6587897 0.81 RAB9A (0.75) RAB9ATSHRL3MBTL1SLC22A12KMT2A
SCHEMBL1413391 0.80 RAB9A (1.00) RAB9ATSHRL3MBTL1HDAC3HDAC4

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-119661415-A Indole derivative obtained by converting quinoline nitrogen-oxide and synthetic method thereof 上海交通大学 2025-03-21 CN disclosed