SCHEMBL30189480

SCHEMBL30189480

CCOC(=O)C=C(N)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ABL1 P00519 1/20 0.44
F2 P00734 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RIN1 Q13671 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL3270436 0.84 RAB9A (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11097937 0.83 NPC1 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11097938 0.83 NPC1 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL19521015 0.77 CES2 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29098732 0.77 MAPT (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL859237 0.75 NPC1 (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8227037 0.74 MAPT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1144606 0.74 MAPT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1144604 0.74 MAPT (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL27676954 0.74 NPC1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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-115636782-B Synthesis method of polyaryl substituted pyridine 浙江工业大学 2024-07-19 CN disclosed
CN-115636782-A Synthetic method of polyaryl substituted pyridine 浙江工业大学 2023-01-24 CN disclosed