SCHEMBL29634952

SCHEMBL29634952

O=C1Cc2c([18F])cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.42
TYR P14679 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TYMS P04818 1/20 0.37
PGR P06401 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
CES1 P23141 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL29517854 0.80 PGR (0.47) SRD5A1TYRMAPK1CA1CA2
SCHEMBL5684576 0.80 PGR (0.47) SRD5A1TYRMAPK1CA1CA2
SCHEMBL29689945 0.80 SRD5A1 (0.53) SRD5A1KDM4EALDH1A1HPGDMAPK1
SCHEMBL30538 0.80 SRD5A1 (0.53) SRD5A1KDM4EALDH1A1HPGDMAPK1
SCHEMBL1151120 0.77 CYP2A6 (0.48) SRD5A1KDM4EMAPK1TYMSKMT2A
SCHEMBL29466610 0.77 CYP2A6 (0.48) SRD5A1KDM4EMAPK1TYMSKMT2A
SCHEMBL30067644 0.77 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPK1TYMS
SCHEMBL14939549 0.76 MAPT (0.52) SRD5A1KDM4EALDH1A1HPGDCA1
SCHEMBL7110292 0.75 TYR (0.34) SRD5A1TYRKDM4EALDH1A1MAPK1
SCHEMBL1265831 0.75 MAPK1 (0.39) SRD5A1TYRMAPK1CA1CA2

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-109476721-B CD 8-specific capture agents, compositions and methods of use and preparation 英蒂分子公司 2022-06-28 CN disclosed