SCHEMBL27809331

SCHEMBL27809331

ClC(c1ccccc1)c1c2ccccc2cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 3/20 0.41
GLA P06280 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HTR2A P28223 1/20 0.38
APAF1 O14727 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CDC25B P30305 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL12880578 0.94 L3MBTL1 (0.43) L3MBTL1TSHRALDH1A1HSD17B10MEN1
SCHEMBL23527410 0.78 MEN1 (0.43) L3MBTL1TSHRALDH1A1HSD17B10MEN1
SCHEMBL4645977 0.78 L3MBTL1 (0.48) L3MBTL1TSHRALDH1A1HSD17B10MEN1
SCHEMBL9782878 0.75 MEN1 (0.44) L3MBTL1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9051490 0.75 LMNA (0.49) L3MBTL1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29853736 0.74 L3MBTL1 (0.45) L3MBTL1TSHRALDH1A1HSD17B10MEN1
SCHEMBL4645643 0.74 L3MBTL1 (0.45) L3MBTL1TSHRALDH1A1HSD17B10MEN1
SCHEMBL2310457 0.72 MEN1 (0.47) L3MBTL1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL151375 0.71 TSHR (0.65) TSHRALDH1A1KDM4EHPGDHTR2A
SCHEMBL7912353 0.71 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10HPGDCYP1A2

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-102060793-B Dual aryl tertiary amine azole compounds with biological activity as well as preparation method and medical application thereof UNIV SOUTHWEST 2013-03-20 CN disclosed
CN-102060793-A Dual aryl tertiary amine azole compounds with biological activity as well as preparation method and medical application thereof UNIV SOUTHWEST 2011-05-18 CN disclosed