SCHEMBL30041441

SCHEMBL30041441

Nc1cc(-c2ncc(CNc3cc(Cl)nc(C(F)(F)F)c3)cn2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ REN P00797 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ USP1 O94782 2/20 0.34
▸ WDR48 Q8TAF3 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL26260522 1.00 MAPT (0.36) MAPTADORA2ATP53TDP1SMN1; SMN2
SCHEMBL26260596 0.86 REN (0.38) SMN1; SMN2RENGHSR
SCHEMBL31493183 0.85 SYK (0.41) MAPTADORA2ATP53TDP1SMN1; SMN2
SCHEMBL30040331 0.83 MAPT (0.39) MAPTTDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL21611940 0.83 MAPT (0.39) MAPTTDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL21611920 0.80 CYP2C19 (0.54) MAPTADORA2ATP53TDP1SMN1; SMN2
SCHEMBL21611930 0.78 CYP2C9 (0.42) MAPTADORA2ATP53TDP1SMN1; SMN2
SCHEMBL25401802 0.77 MEN1 (0.46) MAPTALDH1A1
SCHEMBL26260574 0.77 FABP4 (0.36) MAPTADORA2ATP53TDP1SMN1; SMN2
SCHEMBL26261427 0.76 USP1 (0.34) MAPTADORA2ATP53TDP1SMN1; SMN2

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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