SCHEMBL9522944

SCHEMBL9522944

c1cn2nc(SCCCOC3CCCCO3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TGFBR1 P36897 2/20 0.33
▸ P2RX3 P56373 2/20 0.32
▸ MET P08581 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31

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
SCHEMBL9524783 0.94 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7456661 0.75 L3MBTL1 (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9673263 0.70 MEN1 (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1
Hydrochloric Acid SCHEMBL9526652 0.66 DYRK1A (0.41) NPC1RAB9A
SCHEMBL11920854 0.66 KMT2A (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL30763935 0.66 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11024894 0.66 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL10174978 0.66 KDM4C (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7452792 0.66 KDM4C (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL2376430 0.66 KDM4C (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249170-B1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-17 — — EP disclosed
US-4921851-A Cephem compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-01 — — US disclosed
EP-0249170-A2 Cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-12-16 — — EP disclosed
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