SCHEMBL30723005

SCHEMBL30723005

COc1c([N+](=O)[O-])cc(N)c(CCO)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
TPMT P51580 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MCL1 Q07820 1/20 0.35
CHEK1 O14757 2/20 0.35
KDM4E B2RXH2 1/20 0.35
G6PD P11413 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL29144973 1.00 ALDH1A1 (0.40) ALDH1A1TDP1TPMTTSHRPKM
SCHEMBL9820250 0.76 SMN1; SMN2 (0.40) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL9054391 0.75 ALDH1A1 (0.43) ALDH1A1TDP1TPMTPKMMAPT
SCHEMBL29144977 0.73 TDP1 (0.40) ALDH1A1TDP1TPMTTSHRPKM
SCHEMBL8146904 0.73 ALDH1A1 (0.54) ALDH1A1TDP1TPMTTSHRPKM
SCHEMBL15023592 0.71 HTT (0.54) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL1437854 0.71 HTT (0.40) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL28154683 0.71 HTT (0.46) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL1933923 0.71 TSHR (0.47) ALDH1A1TDP1TSHRLMNAMAPT
SCHEMBL10716436 0.70 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTHTT

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-117426992-A Hair treatment method for increasing bond density of damaged hair 美容与商业股份有限公司 2024-01-23 CN disclosed