SCHEMBL4725141

SCHEMBL4725141

N#Cc1ccccc1NC1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.52
PRKCD Q05655 5/20 0.46
KMT2A Q03164 1/20 0.45
CHUK O15111 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL24074639 0.91 KMT2A (0.47) PRKCQKMT2AKDM4EGAATSHR
SCHEMBL2666741 0.84 KDM4E (0.53) KMT2AKDM4EGAATSHRHPGD
SCHEMBL7526224 0.84 KMT2A (0.51) KMT2AKDM4EGAATSHRHPGD
SCHEMBL5241822 0.83 PRKCQ (0.45) PRKCQPRKCDKMT2ACHUKKDM4E
SCHEMBL3476117 0.83 KDM4E (0.56) KMT2AKDM4EGAATSHRHPGD
SCHEMBL4878796 0.81 AR (0.50) PRKCQPRKCDCHUKAR
SCHEMBL4878791 0.81 AR (0.50) PRKCQPRKCDCHUKAR
SCHEMBL4726704 0.80 KMT2A (0.45) PRKCQPRKCDKMT2AKDM4EGAA
SCHEMBL377808 0.80 CTSL (0.42) KMT2AKDM4EGAATSHRHPGD
SCHEMBL4728979 0.80 PRKCQ (0.49) PRKCQPRKCDKMT2ACHUKL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047781-A HSP90 inhibitor and preparation method and application thereof 广西大学 2024-05-17 CN disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed