SCHEMBL30041546

SCHEMBL30041546

Fc1ccccc1Nc1ccc2[nH]c(COc3ccnc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ TP53 P04637 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL26260731 1.00 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL30041208 0.90 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL26260736 0.90 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL25400113 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL30040122 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL26260734 0.86 NPC1 (0.40) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL23618319 0.82 ABCB1 (0.42) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21612019 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL30579944 0.78 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL25400510 0.75 ABCB1 (0.35) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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
EP-4085054-B1 NEW PQSR INVERSE AGONISTS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-02-19 — — EP disclosed
EP-4085054-A1 NEW PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-11-09 — — EP disclosed
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