SCHEMBL23501616

SCHEMBL23501616

COC(=O)c1ccc(C)c(OCc2cncc(Br)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NOTUM Q6P988 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ SMPD1 P17405 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 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
SCHEMBL31364809 1.00 PKM (0.52) PKMSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL29933845 1.00 PKM (0.52) PKMSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL31359391 0.88 PKM (0.51) PKMSMN1; SMN2MAPTHTTPOLB
SCHEMBL28884605 0.83 MAPT (0.46) PKMSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL31359395 0.81 CYP11B1 (0.54) MAPTLMNAL3MBTL1RAB9AHTT
SCHEMBL29933942 0.81 CYP11B1 (0.54) MAPTLMNAL3MBTL1RAB9AHTT
SCHEMBL23501599 0.81 CYP11B1 (0.54) MAPTLMNAL3MBTL1RAB9AHTT
SCHEMBL22169882 0.79 MAPT (0.51) SMN1; SMN2MAPTLMNAL3MBTL1RAB9A
SCHEMBL23501655 0.79 HDAC8 (0.48) PKMSMN1; SMN2MAPTL3MBTL1HTT
SCHEMBL29934010 0.79 HDAC8 (0.48) PKMSMN1; SMN2MAPTL3MBTL1HTT

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-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 — — CN disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 — — WO disclosed
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