SCHEMBL30967862

SCHEMBL30967862

COC(=O)C1Cc2ccc(COS(C)(=O)=O)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TBXA2R P21731 9/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 2/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL29237402 1.00 KMT2A (0.39) KMT2ATBXA2RALDH1A1MAPTHPGD
SCHEMBL29237236 0.80 KMT2A (0.44) KMT2AALDH1A1MAPTHPGDNPSR1
SCHEMBL30967946 0.77 KMT2A (0.40) KMT2ATBXA2RALDH1A1
SCHEMBL29237381 0.76 KMT2A (0.41) KMT2ATBXA2RALDH1A1MAPTPKM
SCHEMBL2464708 0.75 KMT2A (0.48) KMT2A
SCHEMBL388601 0.74 MTNR1A (0.54) KMT2AALDH1A1PKM
SCHEMBL12472053 0.73 FAAH (0.59) FAAH
SCHEMBL30967877 0.73 KMT2A (0.39) KMT2AALDH1A1FAAH
SCHEMBL4914678 0.72 CA1 (0.46) KMT2AALDH1A1MAPTPKM
SCHEMBL19693718 0.72 CA1 (0.62)

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed