SCHEMBL28169468

SCHEMBL28169468

O=C(OCl)c1ccc2c(ccn2C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ TUBB1 Q9H4B7 4/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ TUBB4A P04350 3/20 0.35
▸ TUBB P07437 3/20 0.35
▸ TUBA3C P0DPH7 3/20 0.35
▸ TUBA1B P68363 3/20 0.35
▸ TUBA4A P68366 3/20 0.35
▸ TUBB4B P68371 3/20 0.35
▸ TUBB3 Q13509 3/20 0.35
▸ TUBB2A Q13885 3/20 0.35
▸ TUBB8 Q3ZCM7 3/20 0.35
▸ TUBA3E Q6PEY2 3/20 0.35
▸ TUBA1A Q71U36 3/20 0.35

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
SCHEMBL29287216 0.88 KDM4E (0.45) OXER1TSHRRAB9AL3MBTL1HDAC11
SCHEMBL18555462 0.84 KDM4E (0.48) TSHRRAB9APPARGTUBB1TUBB4A
SCHEMBL29746616 0.82 RAPGEF4 (0.48) OXER1TSHRRAB9AL3MBTL1PPARG
SCHEMBL28265884 0.79 TUBB4A (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21462774 0.75 PLA2G4A (0.41) OXER1TSHRRAB9AL3MBTL1PPARG
SCHEMBL2659180 0.75 OXER1 (0.63) OXER1TSHRRAB9AL3MBTL1ROCK2
SCHEMBL16496424 0.74 ROCK2 (0.38) OXER1TSHRRAB9AL3MBTL1PPARG
SCHEMBL2473207 0.74 ROCK2 (0.38) OXER1TSHRRAB9AL3MBTL1PPARG
SCHEMBL2794146 0.73 OXER1 (0.42) OXER1TSHRRAB9AL3MBTL1TUBB1
SCHEMBL28048817 0.73 CTNNB1 (0.50) TSHRRAB9AL3MBTL1PPARGHDAC11

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-107072985-A Therapeutic inhibiting compound 莱福斯希医药公司 2017-08-18 — — CN disclosed
Send feedback