SCHEMBL6724867

SCHEMBL6724867

C=CCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.58
RAB9A P51151 1/20 0.58
GRM7 Q14831 1/20 0.58
ALOX15 P16050 2/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 5/20 0.41
ATM Q13315 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8529971 0.88 RAB9A (0.46) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL10582023 0.83 SMN1; SMN2 (0.46) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL28334094 0.80 ALDH1A1 (0.42) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL8058900 0.79 SMN1; SMN2 (0.43) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL1387573 0.79 CYP3A4 (0.53) ALOX15CYP3A4SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL479277 0.79 CYP3A4 (0.53) ALOX15CYP3A4SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL8119644 0.79 CYP3A4 (0.53) ALOX15CYP3A4SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL3297741 0.79 SMN1; SMN2 (0.43) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL21789003 0.78 MTOR (0.58) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL24325919 0.78 SMN1; SMN2 (0.69) MTORRAB9AGRM7ALOX15CYP3A4

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-110128233-B Preparation method of deuterated alcohol compound 南京工业大学 2021-02-02 CN disclosed
CN-105074514-A Polarizing plate SUMITOMO CHEMICAL CO 2015-11-18 CN disclosed
CN-104725420-A PNN ligand, PNN ligand iron or cobalt complex, and preparation method and application thereof SHANGHAI INST ORGANIC CHEM 2015-06-24 CN disclosed
JP-2004002206-A METHOD FOR PRODUCING OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVE CHUGAI PHARMACEUT CO LTD 2004-01-08 JP disclosed
WO-2002008208-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 WO disclosed