SCHEMBL3835575

SCHEMBL3835575

CNC1(C(=O)NC2CC2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.41
FPR2 P25090 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.38
HSD11B1 P28845 2/20 0.37
EPHX1 P07099 6/20 0.37
MME P08473 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX2 P34913 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 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
SCHEMBL12574153 0.92 HPGD (0.39) MAPTHPGDFPR2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2022552 0.90 HPGD (0.38) MAPTHPGDFPR2ALDH1A1KMT2A
SCHEMBL14968777 0.84 EPHX1 (0.48) MAPTHPGDFPR2ALDH1A1KMT2A
SCHEMBL3835572 0.80 MAPT (0.40) MAPTHPGDFPR2ALDH1A1KMT2A
SCHEMBL21916708 0.76 KDM4E (0.39) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL14161850 0.75 CCR2 (0.49) MAPTHPGDALDH1A1EPHX1MME
SCHEMBL15463102 0.74 HPGD (0.40) MAPTHPGDALDH1A1KMT2AEPHX1
SCHEMBL7522834 0.74 CYP3A4 (0.40) MAPTALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL28826594 0.73 CCR2 (0.51) MAPTHPGDALDH1A1KMT2AEPHX1
SCHEMBL7432178 0.72 HDAC4 (0.40) KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed