SCHEMBL29959902

SCHEMBL29959902

N[13C](=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.62
CES2 O00748 2/20 0.62
CES1 P23141 2/20 0.62
TSHR P16473 2/20 0.59
ALOX15 P16050 1/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PARP1 P09874 2/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL77931 1.00 MAP4K4 (0.62) MAP4K4CES2CES1TSHRALOX15
Hydrochloric Acid SCHEMBL3772040 0.97 MAP4K4 (0.60) MAP4K4CES2CES1TSHRALOX15
Hydrochloric Acid SCHEMBL409480 0.97 MAP4K4 (0.60) MAP4K4CES2CES1TSHRALOX15
Hydrochloric Acid SCHEMBL28021646 0.97 MAP4K4 (0.60) MAP4K4CES2CES1TSHRALOX15
Iodide SCHEMBL19056893 0.97 MAP4K4 (0.60) MAP4K4CES2CES1TSHRALOX15
Bromide SCHEMBL28799121 0.97 MAP4K4 (0.60) MAP4K4CES2CES1TSHRALOX15
Nitrogen SCHEMBL27780715 0.95 MAP4K4 (0.58) MAP4K4CES2CES1TSHRALOX15
SCHEMBL2689662 0.93 MAP4K4 (0.72) MAP4K4CES2CES1TSHRALOX15
Benzamide SCHEMBL9812910 0.91 PARP1 (0.73) MAP4K4CES2CES1TSHRALOX15
4-Chloroaniline SCHEMBL11600778 0.91 PARP10 (0.61) MAP4K4CES2CES1TSHRALOX15

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-118530133-A Method for preparing formamide and N-methyl amine compounds 南京工业大学 2024-08-23 CN disclosed
CN-113527021-B Preparation method of formamide compound 大连理工大学 2022-11-18 CN disclosed