SCHEMBL29933368

SCHEMBL29933368

Cn1c(-c2ccc3ccccc3c2)cc2cc(Br)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
KMT2A Q03164 2/20 0.50
MCL1 Q07820 1/20 0.44
CYP19A1 P11511 1/20 0.43
APP P05067 4/20 0.42
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38

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
SCHEMBL2382803 0.84 KMT2A (0.66) CYP2A6KMT2AMCL1CYP19A1APP
SCHEMBL11685259 0.84 KMT2A (0.70) KMT2AMCL1APPKDM4EMEN1
SCHEMBL29933356 0.82 KMT2A (0.50) KMT2ACYP19A1APPKDM4EMEN1
SCHEMBL8591982 0.79 KMT2A (0.73) KMT2AMCL1CYP19A1APPKDM4E
SCHEMBL12278467 0.76 KMT2A (0.46) KMT2AAPPKDM4EMEN1ALDH1A1
SCHEMBL5008781 0.76 CYP2A6 (0.81) CYP2A6KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL429115 0.76 CYP2A6 (0.81) CYP2A6KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL29541186 0.76 CYP2A6 (0.81) CYP2A6KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL12278770 0.76 KMT2A (0.46) KMT2ACYP19A1APPKDM4EMEN1
SCHEMBL12278757 0.76 KMT2A (0.46) KMT2ACYP19A1APPKDM4EMEN1

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-115108960-B Preparation method and application of polysubstituted indole compound 陕西蒲城万德科技有限公司 2024-08-27 CN disclosed
CN-115108960-A Preparation method and application of polysubstituted indole compound 广东工业大学 2022-09-27 CN disclosed