SCHEMBL28295593

SCHEMBL28295593

ClCCc1nnc(-c2ccccc2)o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
LMNA P02545 1/20 0.73
NOTUM Q6P988 3/20 0.62
RAB9A P51151 9/20 0.61
NPC1 O15118 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
POLB P06746 2/20 0.56
KCNH2 Q12809 1/20 0.54
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
ATM Q13315 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ATAD2 Q6PL18 1/20 0.48

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
SCHEMBL485159 0.85 ALDH1A1 (1.00) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL21303556 0.81 MAPT (0.66) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL29291257 0.81 ALDH1A1 (0.62) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL13731090 0.81 RAB9A (0.71) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL7976958 0.81 ALDH1A1 (0.62) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL19343385 0.80 RAB9A (0.81) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL3863062 0.79 ALDH1A1 (0.59) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL561946 0.77 NR1H4 (0.69) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL6404017 0.77 ALDH1A1 (0.57) ALDH1A1LMNANOTUMRAB9ANPC1
SCHEMBL6408207 0.77 ALDH1A1 (0.57) ALDH1A1LMNANOTUMRAB9ANPC1

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-109810071-B miRNA biosynthesis inhibitor 中国科学院成都生物研究所 2023-04-21 CN disclosed
CN-109810071-A A kind of miRNA biosynthesis inhibitor 中国科学院成都生物研究所 2019-05-28 CN disclosed
CN-106146487-B Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its preparation method and application 北京大学 2019-05-10 CN disclosed