SCHEMBL29163529

SCHEMBL29163529

NCCCC(NC(=O)CC(N)Cc1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ IDE P14735 3/20 0.40
▸ FCER2 P06734 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HDAC1 Q13547 5/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30753711 1.00 CALCRL (0.42) CALCRLRAB9AGAASMN1; SMN2IDE
SCHEMBL29163915 0.86 LTA4H (0.55) HDAC1
SCHEMBL29164081 0.79 IDE (0.43) RAB9AGAASMN1; SMN2IDE
SCHEMBL29163541 0.78 LMNA (0.41) SMN1; SMN2MAPT
SCHEMBL9489894 0.78 MEN1 (0.49) CALCRLRAB9AGAASMN1; SMN2NPC1
SCHEMBL7860801 0.77 LTA4H (0.51) CALCRLSMN1; SMN2FCER2HDAC1
SCHEMBL7857988 0.76 FCER2 (0.46) RAB9AFCER2NPC1
SCHEMBL29164082 0.76 F2 (0.43) RAB9ANPC1MEN1KMT2A
SCHEMBL8365170 0.76 RAB9A (0.49) RAB9AGAASMN1; SMN2NPC1MEN1
SCHEMBL18787564 0.75 SSTR3 (0.54) CALCRLFCER2

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-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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