SCHEMBL31073643

SCHEMBL31073643

Brc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.50
TSHR P16473 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
HSP90AA1 P07900 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR6 P50406 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL31073637 1.00 MAPT (0.52) MAPTHTTTSHRKDM4ELMNA
SCHEMBL24221658 0.88 POLB (0.65) MAPTHTTTSHRKDM4ELMNA
SCHEMBL6832159 0.83 HSP90AA1 (0.63) MAPTHTTTSHRKDM4EHSP90AA1
SCHEMBL5442301 0.77 LMNA (0.67) MAPTHTTTSHRKDM4ELMNA
SCHEMBL109279 0.77 ALDH1A1 (0.67) TSHRKDM4EHPGDALOX12L3MBTL1
SCHEMBL28177880 0.71 MAPT (0.47) MAPTHTTTSHRKDM4ELMNA
SCHEMBL31073618 0.70 RXFP1 (0.59) MAPTHTTTSHRKDM4ELMNA
SCHEMBL647938 0.70 ALDH1A1 (0.70) TSHRKDM4EHPGDL3MBTL1GAA
SCHEMBL1042604 0.68 KMT2A (0.60) TSHRKDM4ETP53POLBL3MBTL1
SCHEMBL17055811 0.68 KDM4E (0.50) MAPTHTTTSHRKDM4ELMNA

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-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 WO claimed