SCHEMBL28226587

SCHEMBL28226587

N#Cc1cc(N)n(-c2ccc(Br)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ PTGS2 P35354 2/20 0.39
▸ RAB9A P51151 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GFER P55789 1/20 0.34

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
SCHEMBL29083293 0.85 XDH (0.42) LMNAPTGS2RAB9ASMN1; SMN2MEN1
SCHEMBL28395393 0.83 MAPT (0.57) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28398226 0.83 MEN1 (0.49) LMNAPTGS2RAB9ASMN1; SMN2MEN1
SCHEMBL28284102 0.83 LMNA (0.41) LMNAPTGS2RAB9ASMN1; SMN2MEN1
SCHEMBL28226658 0.83 PTGS2 (0.54) LMNAPTGS2RAB9ASMN1; SMN2MEN1
SCHEMBL244194 0.83 MAPK1 (0.56) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28227459 0.83 ALDH1A1 (0.42) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28400665 0.81 LMNA (0.65) LMNAPTGS2RAB9ASMN1; SMN2MEN1
SCHEMBL28227470 0.81 LOXL2 (0.42) LMNAPTGS2RAB9ASMN1; SMN2MEN1
SCHEMBL28393672 0.80 NPY5R (0.41) LMNAPTGS2MEN1KMT2ACYP2C9

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-108203450-B Preparation method and application of amino phosphonate containing arylpyrazole compound 南京工业大学 2020-05-19 — — CN disclosed
CN-108203450-A Preparation method and application of amino phosphonate containing arylpyrazole compound 南京工业大学 2018-06-26 — — CN disclosed
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