SCHEMBL21783604

SCHEMBL21783604

N#Cc1ccc(/C(=C(\c2ccccc2)c2ccc(C#N)cc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CA2 P00918 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAOB P27338 3/20 0.50
CA1 P00915 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAOA P21397 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.47
GSK3B P49841 2/20 0.45
NPC1 O15118 2/20 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
SCHEMBL23456757 1.00 TSHR (0.59) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL21783611 1.00 TSHR (0.59) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL21783558 1.00 TSHR (0.59) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL21783612 0.90 CA2 (0.58) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL2179897 0.86 TSHR (0.59) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL20908409 0.85 TSHR (0.43) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL20908132 0.84 MMP3 (0.44) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL22508433 0.82 KDM1A (0.46) ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL4357019 0.82 TSHR (0.54) TSHRCA2ALDH1A1MAOBCA1
SCHEMBL10606109 0.82 TSHR (0.54) TSHRCA2ALDH1A1MAOBCA1

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
WO-2020043087-A1 METHOD OF DETECTING HUMAN SERUM ALBUMIN IN BIOLOGICAL FLUIDS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-03-05 WO disclosed