SCHEMBL28036792

SCHEMBL28036792

O=C(c1ccsc1-c1ccccc1)c1ccsc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.44
BCAT2 O15382 1/20 0.44
DHODH Q02127 2/20 0.44
PTGS2 P35354 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3316024 0.87 KMT2A (0.50) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL6623848 0.83 BCAT2 (0.55) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL1147544 0.83 MAPT (0.50) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL11395216 0.81 KMT2A (0.45) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL3321379 0.79 KDM4E (0.56) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL8109419 0.78 BCAT2 (0.44) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL4673228 0.76 KMT2A (0.42) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL3609310 0.75 TSHR (0.58) ALOX15TP53MAPK1LMNAALDH1A1
SCHEMBL27470372 0.74 NPC1 (0.49) KMT2AALOX15TP53MAPK1LMNA
SCHEMBL22157985 0.73 TP53 (0.44) KMT2AALOX15TP53MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037115-B synthetic method of diaryl ketone compound 浙江工业大学 2017-01-04 CN disclosed
CN-104987273-B catalytic oxidation synthesis method of diaryl ketone compound 浙江工业大学 2016-08-24 CN disclosed
CN-105037115-A synthetic method of diaryl ketone compound UNIV ZHEJIANG TECHNOLOGY 2015-11-11 CN disclosed
CN-104987273-A Catalytic oxidation synthesis method of diaryl ketone compound UNIV ZHEJIANG TECHNOLOGY 2015-10-21 CN disclosed