SCHEMBL22650326

SCHEMBL22650326

CCC(=O)Nc1ccc(I)cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
PTPRE P23469 1/20 0.45
PTPN6 P29350 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
AHR P35869 1/20 0.45
HSD17B10 Q99714 5/20 0.44
TSHR P16473 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL6046819 0.87 KMT2A (0.53) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL16651569 0.87 KMT2A (0.53) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4604248 0.84 CA12 (0.57) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL6012277 0.84 ALDH1A1 (0.51) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4605157 0.83 L3MBTL1 (0.55) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL1186093 0.83 MAPT (0.51) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL4605989 0.82 GAA (0.51) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4604562 0.82 ALDH1A1 (0.60) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL29441245 0.82 ALDH1A1 (0.60) HTTKMT2AALDH1A1KDM4EHPGD
SCHEMBL16662129 0.81 HTT (0.43) HTTKMT2AALDH1A1KDM4EHPGD

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-2020225330-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2020-11-12 WO disclosed