SCHEMBL29367108

SCHEMBL29367108

Brc1ccc(-n2ccc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.67
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46

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
SCHEMBL4464646 1.00 BIRC5 (0.67) BIRC5KMT2AHTTMEN1PKM
SCHEMBL15138702 0.94 BIRC5 (0.61) BIRC5KMT2AHTTMEN1PKM
SCHEMBL13242029 0.83 BIRC5 (0.71) BIRC5KMT2APRKD3PRKCGPRKCB
SCHEMBL170890 0.83 BIRC5 (0.70) BIRC5KMT2AHTTMEN1L3MBTL1
SCHEMBL29475118 0.83 BIRC5 (0.70) BIRC5KMT2AHTTMEN1L3MBTL1
SCHEMBL16600098 0.82 BIRC5 (0.55) BIRC5KMT2AHTTMEN1PKM
Hydrochloric Acid SCHEMBL3803742 0.81 BIRC5 (0.68) BIRC5KMT2AHTTMEN1L3MBTL1
SCHEMBL3194559 0.80 BIRC5 (0.67) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL4426563 0.80 BIRC5 (0.67) BIRC5KMT2AHTTL3MBTL1PRKD3
SCHEMBL13483654 0.80 BIRC5 (0.67) BIRC5PRKD3PRKCGPRKCBPRKCA

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-119118850-A Method for preparing amino phenethyl alcohol compound by reforming indole compound structure 中国科学院兰州化学物理研究所 2024-12-13 CN disclosed
CN-112300026-B 4-benzo five-membered ring-phenyl ketoxime ester compound and preparation method and application thereof 同济大学 2022-02-01 CN disclosed