SCHEMBL28844443

SCHEMBL28844443

N#CCCN1C=CN(Cc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNA3 P22001 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36
MC4R P32245 1/20 0.36
LMNA P02545 2/20 0.36
OPRM1 P35372 1/20 0.36
MAOB P27338 2/20 0.35
CCR3 P51677 1/20 0.35
GAA P10253 1/20 0.34

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
Sulfuric Acid SCHEMBL28871745 0.91 MAPK1 (0.38) ALDH1A1KMT2ATSHRF2PLG
SCHEMBL28289858 0.87 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRF2PLG
SCHEMBL1044027 0.82 SIGMAR1 (0.52) SIGMAR1ALDH1A1F2PLGELANE
Hydrochloric Acid SCHEMBL9343069 0.80 SIGMAR1 (0.50) SIGMAR1ALDH1A1F2PLGELANE
Bromide SCHEMBL1046639 0.80 SIGMAR1 (0.50) SIGMAR1ALDH1A1F2PLGELANE
SCHEMBL29124151 0.78 CYP11B1 (0.49) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL5295885 0.77 MEN1 (0.44) SIGMAR1ALDH1A1MEN1KMT2AF2
Bromide SCHEMBL531215 0.77 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ASMN1; SMN2F2
Water SCHEMBL31186938 0.77 ALDH1A1 (0.46) SIGMAR1ALDH1A1MC4RLMNAHSD17B10
Hydrochloric Acid SCHEMBL29124161 0.77 CYP11B1 (0.48) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2

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-106676879-A Ultra-high molecular weight polyethylene fiber surface modified solution, preparation method, ultra-high molecular weight polyethylene fibers and modification method 湖南中泰特种装备有限责任公司 2017-05-17 CN claimed
CN-106676879-A Ultra-high molecular weight polyethylene fiber surface modified solution, preparation method, ultra-high molecular weight polyethylene fibers and modification method 湖南中泰特种装备有限责任公司 2017-05-17 CN disclosed