SCHEMBL28965992

SCHEMBL28965992

O=C(O)c1cccnc1Cl.[LiH]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.96
LMNA P02545 1/20 0.96
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
AGER Q15109 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NAPRT Q6XQN6 2/20 0.57
POLB P06746 1/20 0.54
DHODH Q02127 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL29412848 0.98 SMN1; SMN2 (1.00) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
SCHEMBL353141 0.98 SMN1; SMN2 (1.00) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
SCHEMBL30792459 0.98 SMN1; SMN2 (1.00) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
Hydrochloric Acid SCHEMBL587011 0.96 SMN1; SMN2 (0.96) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL28484422 0.96 SMN1; SMN2 (0.96) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
SCHEMBL31572603 0.96 SMN1; SMN2 (0.96) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
SCHEMBL5250407 0.96 SMN1; SMN2 (0.96) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
SCHEMBL28965993 0.96 SMN1; SMN2 (0.96) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
Ethane SCHEMBL3957942 0.94 SMN1; SMN2 (0.92) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1
Dimethylamine SCHEMBL31596353 0.90 SMN1; SMN2 (0.85) SMN1; SMN2LMNAKDM4ETDP1L3MBTL1

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-115611802-B Synthetic method of 3-acetyl-2-chloropyridine 北京迪泰医药科技有限公司 2023-03-14 CN claimed
CN-115611802-A Synthetic method of 3-acetyl-2-chloropyridine 北京迪泰医药科技有限公司 2023-01-17 CN claimed
CN-115611802-B Synthetic method of 3-acetyl-2-chloropyridine 北京迪泰医药科技有限公司 2023-03-14 CN disclosed
CN-115611802-B Synthetic method of 3-acetyl-2-chloropyridine 北京迪泰医药科技有限公司 2023-03-14 CN disclosed
CN-115611802-A Synthetic method of 3-acetyl-2-chloropyridine 北京迪泰医药科技有限公司 2023-01-17 CN disclosed
CN-115611802-A Synthetic method of 3-acetyl-2-chloropyridine 北京迪泰医药科技有限公司 2023-01-17 CN disclosed