SCHEMBL28525855

SCHEMBL28525855

CCOC(=O)c1cc(-c2cc(C)ccn2)on1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CFTR P13569 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
JMJD6 Q6NYC1 3/20 0.45
ACR P10323 1/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 3/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL405753 0.84 MAPT (0.63) MAPTALDH1A1L3MBTL1CFTRACR
SCHEMBL30047064 0.84 MAPT (0.63) MAPTALDH1A1L3MBTL1CFTRACR
SCHEMBL21523592 0.81 CDC7 (0.53) MAPTALDH1A1L3MBTL1CFTRKCNH2
SCHEMBL24573012 0.79 JMJD6 (0.48) JMJD6KDM4EPOLBHPGDCCR1
SCHEMBL127699 0.78 CYP1A2 (0.53) MAPTALDH1A1JMJD6KDM4EPOLB
SCHEMBL9902002 0.77 MAPT (0.52) MAPTALDH1A1L3MBTL1CFTRACR
SCHEMBL29197994 0.77 ACR (0.60) MAPTALDH1A1L3MBTL1ACRPOLB
SCHEMBL10147416 0.77 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1CFTRACR
SCHEMBL2967105 0.77 TP53 (0.57) MAPTALDH1A1L3MBTL1CFTRACR
SCHEMBL19815118 0.76 MAPT (0.52) MAPTALDH1A1L3MBTL1CFTRKCNH2

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-112313224-A ATF6 inhibitors and uses thereof 黑带医疗有限责任公司 2021-02-02 CN disclosed