SCHEMBL28637069

SCHEMBL28637069

O=CC1CCCN(c2cccs2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 3/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL10406250 0.75 NOTUM (0.49) KDM4ETSHRMAPTALDH1A1KMT2A
SCHEMBL3053970 0.72 GAA (0.42) KDM4ETSHRMAPTALDH1A1KMT2A
SCHEMBL2048093 0.72
SCHEMBL4687065 0.72 CHKA (0.52) KDM4ETSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL30058940 0.71 MEN1 (0.57) KDM4ETSHRALDH1A1KMT2ANPC1
SCHEMBL12663041 0.71 HRH3 (0.44) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL29181 0.70 NPC1 (0.44) KDM4ETSHRMAPTALDH1A1KMT2A
SCHEMBL8181923 0.70 NPC1 (0.44) KDM4ETSHRMAPTALDH1A1KMT2A
SCHEMBL7238470 0.69 ALDH1A1 (0.53) KDM4ETSHRMAPTALDH1A1KMT2A
SCHEMBL7238463 0.69 ALDH1A1 (0.53) KDM4ETSHRMAPTALDH1A1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113388261-B Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2022-09-20 CN claimed
CN-113388261-A Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2021-09-14 CN claimed
CN-113388261-B Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2022-09-20 CN disclosed
CN-113388261-B Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2022-09-20 CN disclosed
CN-113388261-A Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2021-09-14 CN disclosed
CN-113388261-A Synthetic method of dye for polarizer 宁夏保隆科技有限公司 2021-09-14 CN disclosed