SCHEMBL28101005

SCHEMBL28101005

COc1ccc(P(=O)(O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PABPC1 P11940 2/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL16554273 0.74 NNMT (0.33) NNMTMKNK1MKNK2KMT2AMEN1
SCHEMBL13459606 0.74 HDAC1 (0.46) KMT2AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL28101008 0.73 L3MBTL1 (0.53) NNMTKMT2AMEN1KDM4ERAB9A
SCHEMBL25169259 0.73 CA2 (0.42) ALDH1A1LMNA
SCHEMBL8607426 0.71 CA2 (0.41) ALDH1A1LMNA
SCHEMBL7790660 0.69 FDFT1 (0.65) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL2154730 0.69 NNMT (0.68) NNMTMKNK1MKNK2KMT2AMEN1
SCHEMBL233806 0.69 CA2 (0.52) RAB9ANPC1SMN1; SMN2
SCHEMBL31435885 0.69 — —
SCHEMBL18228074 0.68 NNMT (0.72) NNMTMKNK1MKNK2KMT2AMEN1

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-105968136-A Preparation method of aromatic phosphonate compound 北京大学 2016-09-28 — — CN disclosed
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