SCHEMBL29791207

SCHEMBL29791207

CSc1nccc(C2(CNc3ccccc3)CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 1/20 0.40
▸ ICMT O60725 6/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PLK4 O00444 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ MAPK13 O15264 2/20 0.33
▸ MAPK12 P53778 2/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ OGA O60502 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL22762634 0.79 LMNA (0.36) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL29566134 0.78 CTPS1 (0.69) CTPS1
SCHEMBL22762643 0.78 CTPS1 (0.69) CTPS1
SCHEMBL22749305 0.72 LMNA (0.36) MEN1NPC1RAB9AKMT2APLK4
SCHEMBL21392085 0.71 FFAR4 (0.35) MEN1NPC1RAB9AKMT2AMAPK13
Hydrochloric Acid SCHEMBL29368124 0.71 LMNA (0.35) MEN1NPC1RAB9AKMT2AMAPK13
Hydrochloric Acid SCHEMBL28701070 0.71 LMNA (0.35) MEN1NPC1RAB9AKMT2AMAPK13
SCHEMBL22758556 0.70 FFAR4 (0.39) MEN1KMT2AMAPK14ALDH1A1MAPT
Lithium SCHEMBL30725900 0.69 FFAR4 (0.38) MEN1KMT2AMAPK14ALDH1A1MAPT
SCHEMBL29142075 0.69 FFAR4 (0.38) MEN1KMT2AMAPK14ALDH1A1MAPT

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
EP-4041715-A1 SULFONAMIDE INHIBITORS AS CTPS 1 INHIBITORS Step Pharma S.A.S. (FR) 2022-08-17 — — EP disclosed
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