SCHEMBL28300124

SCHEMBL28300124

CCCCCCCCCCCCCCCCCC1=NCCN1CCCCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GBA1 P04062 1/20 0.37
DRD4 P21917 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
EEF2K O00418 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL4665795 1.00 MEN1 (0.39) MEN1KMT2ACYP1A2CYP2D6GBA1
SCHEMBL11138036 1.00 MEN1 (0.39) MEN1KMT2ACYP1A2CYP2D6GBA1
SCHEMBL9787947 1.00 MEN1 (0.39) MEN1KMT2ACYP1A2CYP2D6GBA1
SCHEMBL5613182 0.98 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP2D6GBA1
Ethylene SCHEMBL27432416 0.97 MEN1 (0.38) MEN1KMT2ACYP1A2CYP2D6GBA1
SCHEMBL21195144 0.93 CYP1A2 (0.38) MEN1KMT2ACYP1A2CYP2D6DRD4
SCHEMBL9787907 0.93 CYP1A2 (0.38) MEN1KMT2ACYP1A2CYP2D6DRD4
SCHEMBL9787986 0.92 LMNA (0.39) MEN1KMT2ACYP1A2CYP2D6GBA1
SCHEMBL7602761 0.92 LMNA (0.39) MEN1KMT2ACYP1A2CYP2D6GBA1
SCHEMBL10005979 0.91 MGLL (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963888-A It is used to prepare the method for being suitable for bull or double end composition that chain shuttle moves 陶氏环球技术有限责任公司 2019-07-02 CN disclosed
CN-109952324-A The sealing end bull or double end composition that are moved suitable for chain shuttle and preparation method 陶氏环球技术有限责任公司 2019-06-28 CN disclosed
CN-109937217-A The bull or double end composition that are moved suitable for chain shuttle and preparation method 陶氏环球技术有限责任公司 2019-06-25 CN disclosed