SCHEMBL28908224

SCHEMBL28908224

Nc1nc2ccccc2[nH]1.[Mn]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.95
MEN1 O00255 2/20 0.95
KMT2A Q03164 2/20 0.95
NUDT1 P36639 2/20 0.95
MASP2 O00187 1/20 0.95
AOC3 Q16853 1/20 0.95
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
HSD17B10 Q99714 5/20 0.58
KDM4E B2RXH2 4/20 0.58
TP53 P04637 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
ABCB11 O95342 1/20 0.58
PKM P14618 1/20 0.58
PLAUR Q03405 1/20 0.57
HPGD P15428 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 3/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL9098 0.98 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL30587443 0.98 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANUDT1MASP2
Hydrochloric Acid SCHEMBL6120210 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Fluoride SCHEMBL31379745 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL28939728 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Water SCHEMBL7472713 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL16486558 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Bromide SCHEMBL117936 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Bromide SCHEMBL118626 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Hydrochloric Acid SCHEMBL2761621 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514707-A Preparation method of chiral aryl (2-pyridyl) benzoyl methyl hydrazine derivative 中国科学院兰州化学物理研究所 2023-08-01 CN claimed
CN-115448813-B Method for preparing (S) -2, 6-dichloro-3-fluorophenylethanol 中国科学院兰州化学物理研究所 2023-07-25 CN claimed
CN-115448813-A Method for preparing (S) -2, 6-dichloro-3-fluorophenethyl alcohol 中国科学院兰州化学物理研究所 2022-12-09 CN claimed
CN-120698974-A Preparation method of chiral amine containing heteroatom 中国科学院兰州化学物理研究所 2025-09-26 CN disclosed
CN-116514707-B Preparation method of chiral aryl (2-pyridyl) benzoyl methyl hydrazine derivative 中国科学院兰州化学物理研究所 2025-07-11 CN disclosed
CN-116514707-A Preparation method of chiral aryl (2-pyridyl) benzoyl methyl hydrazine derivative 中国科学院兰州化学物理研究所 2023-08-01 CN disclosed
CN-116514707-A Preparation method of chiral aryl (2-pyridyl) benzoyl methyl hydrazine derivative 中国科学院兰州化学物理研究所 2023-08-01 CN disclosed
CN-115448813-B Method for preparing (S) -2, 6-dichloro-3-fluorophenylethanol 中国科学院兰州化学物理研究所 2023-07-25 CN disclosed
CN-115448813-B Method for preparing (S) -2, 6-dichloro-3-fluorophenylethanol 中国科学院兰州化学物理研究所 2023-07-25 CN disclosed
CN-115448813-A Method for preparing (S) -2, 6-dichloro-3-fluorophenethyl alcohol 中国科学院兰州化学物理研究所 2022-12-09 CN disclosed
CN-115448813-A Method for preparing (S) -2, 6-dichloro-3-fluorophenethyl alcohol 中国科学院兰州化学物理研究所 2022-12-09 CN disclosed