SCHEMBL28428705

SCHEMBL28428705

CCOC(=O)c1ccc2cc(C(C)(C)C)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 1/20 0.41
SCN9A Q15858 1/20 0.41
MAOB P27338 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8001647 0.82 CYP1A2 (0.56) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL283861 0.81 MEN1 (0.42) MEN1KMT2ASCN9A
SCHEMBL2210778 0.81 CYP1A2 (0.54) CYP1A2ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL2001591 0.80 ALDH1A1 (0.65) CYP1A2ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL1208379 0.80 CYP1A2 (0.53) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28428697 0.80 TSHR (0.64) CYP1A2ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL263895 0.79 MGAM (0.51) MEN1KMT2ATSHRMAPTKDM4E
SCHEMBL28434347 0.79 KDM4E (0.65) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28231530 0.78 ALDH1A1 (0.48) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL269263 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTHPGD

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-108314647-B Preparation method of quinoline-2-formic acid and quinoline-2-formic acid derivative 华中科技大学 2020-06-26 CN claimed
CN-108314647-B Preparation method of quinoline-2-formic acid and quinoline-2-formic acid derivative 华中科技大学 2020-06-26 CN disclosed