SCHEMBL22791425

SCHEMBL22791425

C=Nc1ccc(C)cc1NC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.37
▸ RAPGEF4 Q8WZA2 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ CYP1A2 P05177 4/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KCNMA1 Q12791 2/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ APP P05067 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SNCA P37840 1/20 0.30

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
SCHEMBL13060991 0.85 HPGD (0.37) GAARAPGEF4HPGDCYP1A2CYP2A6
SCHEMBL20860302 0.83 ADRA2A (0.32) ADRA2AEGFRAPP
SCHEMBL20860303 0.79 SIGMAR1 (0.37) GAACYP1A2CYP3A4ADRA2ACYP2C9
SCHEMBL10284425 0.78 GAA (0.41) GAARAPGEF4HPGDCYP1A2CYP2A6
SCHEMBL8342155 0.78 GAA (0.37) GAARAPGEF4HPGDCYP1A2CYP2A6
SCHEMBL22791511 0.78 CYP3A4 (0.39) GAARAPGEF4HPGDCYP1A2CYP3A4
SCHEMBL21374130 0.76 LMNA (0.34) GAAHPGDCYP1A2CYP3A4NPC1
SCHEMBL21239424 0.75 CYP3A4 (0.39) GAARAPGEF4HPGDCYP1A2CYP2A6
SCHEMBL20726532 0.75 GAA (0.39) GAARAPGEF4HPGDCYP1A2CYP3A4
SCHEMBL16588403 0.75 TDP1 (0.50) GAAHPGDCYP1A2NPC1RAB9A

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
WO-2023180463-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-09-28 — — WO disclosed
WO-2020252205-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 — — WO disclosed
Send feedback