SCHEMBL29237753

SCHEMBL29237753

CCOC(=O)[C@@H]1CC1c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KDM1A O60341 2/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL31320831 1.00 TSHR (0.48) TSHRNPSR1MEN1USP2TP53
SCHEMBL26363773 1.00 TSHR (0.48) TSHRNPSR1MEN1USP2TP53
SCHEMBL4134712 1.00 TSHR (0.48) TSHRNPSR1MEN1USP2TP53
SCHEMBL4142892 1.00 TSHR (0.48) TSHRNPSR1MEN1USP2TP53
SCHEMBL29302373 1.00 TSHR (0.48) TSHRNPSR1MEN1USP2TP53
SCHEMBL25456799 1.00 TSHR (0.48) TSHRNPSR1MEN1USP2TP53
SCHEMBL30967761 1.00 TSHR (0.48) TSHRNPSR1MEN1USP2TP53
SCHEMBL6081536 0.86 MAPT (0.47) TSHRMEN1KMT2AALDH1A1SLC6A4
SCHEMBL4773039 0.84 KIF11 (0.49) TSHRMAPTPKMHTR2AHTR2C
SCHEMBL29302376 0.84 MAPT (0.49) TSHRMEN1MAPK1KMT2AALDH1A1

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