SCHEMBL30475196

SCHEMBL30475196

NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RAB9A P51151 1/20 0.58
NPC1 O15118 1/20 0.54
HIF1A Q16665 3/20 0.50
GAA P10253 2/20 0.50
EPAS1 Q99814 1/20 0.50
EPHX2 P34913 4/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
SERPINE1 P05121 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL21628735 0.91 KMT2A (0.61) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL10011879 0.83 NPC1 (0.56) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL422261 0.83 NPC1 (0.56) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL28601819 0.81 NPC1 (0.63) LMNAALDH1A1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL2710121 0.81 NPC1 (0.54) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL14755639 0.80 MEN1 (0.41) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL28197968 0.80 HIF1A (0.55) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL2763437 0.79 LMNA (0.77) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL28731870 0.79 EPHX2 (0.55) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL28686352 0.79 MEN1 (0.68) LMNAALDH1A1MEN1KMT2ARAB9A

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-115975159-A Squaramide ionic organic catalyst and synthesis method and application thereof 陕西榆能集团能源化工研究院有限公司 2023-04-18 CN disclosed