SCHEMBL6825882

SCHEMBL6825882

COc1cccc(NC(=O)NCC(C)(C)CC(=O)N(CCC(C)C)CC(=O)NO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.45
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CCKBR P32239 2/20 0.42
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
STAT1 P42224 1/20 0.41
PKM P14618 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.40
UTS2R Q9UKP6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6822076 0.88 MEN1 (0.45) KMT2ASMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6825527 0.85 NPC1 (0.45) CASRKMT2ASMN1; SMN2MAPK1RAB9A
SCHEMBL6822424 0.84 ANPEP (0.45) KMT2AMAPTLMNAPKMMEN1
SCHEMBL6825491 0.82 ITGB1 (0.40) CASRKMT2ASMN1; SMN2RAB9AHTT
SCHEMBL6825880 0.80 CCKBR (0.49) CASRKMT2ASMN1; SMN2CCKBRMAPK1
SCHEMBL6825516 0.79 KMT2A (0.47) KMT2ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL6825420 0.77 LMNA (0.40) KMT2ASMN1; SMN2MAPK1RAB9AHTT
SCHEMBL6822427 0.77 TRPV1 (0.43) KMT2AMAPK1RAB9AMAPTLMNA
SCHEMBL6822346 0.77 RAB9A (0.39) KMT2ASMN1; SMN2RAB9AHTTMAPT
SCHEMBL6825347 0.76 HDAC1 (0.49) KMT2ASMN1; SMN2MAPK1MAPTLMNA

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed