SCHEMBL28007802

SCHEMBL28007802

CCOC(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 9/20 0.67
MAPT P10636 4/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
ALDH1A1 P00352 2/20 0.67
POLB P06746 1/20 0.60
PKM P14618 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HSD17B10 Q99714 1/20 0.58
GAA P10253 1/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TSHR P16473 1/20 0.56
TRPV1 Q8NER1 2/20 0.55

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
SCHEMBL28007803 0.88 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL6793571 0.85 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL12764060 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL9445241 0.84 RAB9A (0.75) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL28007500 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL9185209 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2105693 0.83 RAB9A (0.69) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL28007798 0.83 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL2105696 0.83 NPC1 (0.69) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL14111901 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTLMNA

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
CN-104610140-A 3-amine acylhydrazone derivative, preparation method and application of 3-amine acylhydrazone derivative UNIV QINGDAO AGRICULTURAL 2015-05-13 CN disclosed