SCHEMBL30833301

SCHEMBL30833301

NC(=O)c1ccc(COc2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.58
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
SRD5A2 P31213 1/20 0.49
F2 P00734 1/20 0.48
PARP10 Q53GL7 4/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL27777168 0.82 SRD5A2 (0.56) MAPTSRD5A2ADORA3
SCHEMBL29030454 0.75 MCL1 (0.44) ALDH1A1MAPTKDM4EATMPIM1
SCHEMBL1194334 0.74 ALDH1A1 (0.58) ALDH1A1MAPTSRD5A2KDM4E
SCHEMBL30833303 0.74 HRH3 (0.48) ALDH1A1MAPTKDM4EADORA3
SCHEMBL30927851 0.73 PARP14 (0.51) MAPTPIM1PIM3
SCHEMBL7409153 0.73 ADRB2 (0.55) MAPTGAAKDM4EATMADORA3
SCHEMBL30833298 0.72 HTR1A (0.50) ALDH1A1MAPTSRD5A2KDM4EADORA3
SCHEMBL9134860 0.72 SRD5A2 (0.81) PARP1ALDH1A1SRD5A2PARP10KDM4E
SCHEMBL27875227 0.72 KMT2A (0.55) PARP1MAPTGAAF2KDM4E
SCHEMBL7149142 0.71 KDM4E (0.47) ALDH1A1MAPTKDM4E

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-117800898-A Carbazole compound and application thereof 中国药科大学 2024-04-02 CN disclosed