SCHEMBL30041208

SCHEMBL30041208

FC(F)(F)c1cc(OCc2nc3cc(Nc4ccccc4Cl)ccc3[nH]2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CDK1 P06493 1/20 0.38

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
SCHEMBL26260736 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL30041546 0.90 RAB9A (0.41) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL26260731 0.90 RAB9A (0.41) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL25400113 0.88 RAB9A (0.44) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL30040122 0.88 RAB9A (0.44) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL26260734 0.83 NPC1 (0.40) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL26260644 0.83 NPC1 (0.40) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL21614711 0.80 RAB9A (0.45) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL21612019 0.77 RAB9A (0.49) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL30579944 0.77 RAB9A (0.43) SMN1; SMN2MEN1LMNAKMT2AALDH1A1

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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