SCHEMBL30768129

SCHEMBL30768129

CS(=O)(=O)N1CC(N2Cc3ccc([N+](=O)[O-])cc3C2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
PNMT P11086 5/20 0.40
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
AKR1C3 P42330 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MMP8 P22894 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL27035115 1.00 LMNA (0.44) LMNAALDH1A1RECQLDPP7PNMT
SCHEMBL22898424 0.84 LMNA (0.51) LMNAALDH1A1DPP7PNMTADRA2A
SCHEMBL17797682 0.80 MEN1 (0.44) LMNAALDH1A1DPP7PNMTADRA2A
SCHEMBL31591040 0.78 PDK2 (0.43) ALDH1A1MMP8L3MBTL1MMP3
SCHEMBL27034994 0.78 PDK2 (0.43) ALDH1A1MMP8L3MBTL1MMP3
SCHEMBL3187597 0.77 ESR1 (0.61) LMNAALDH1A1PNMTADRA2AAKR1C3
SCHEMBL4135021 0.77 AKR1C3 (0.58) LMNAALDH1A1RECQLPNMTADRA2A
SCHEMBL30561523 0.77 AKR1C3 (0.58) LMNAALDH1A1RECQLPNMTADRA2A
SCHEMBL21526447 0.76 DPP7 (0.41) LMNAALDH1A1DPP7PNMTADRA2A
SCHEMBL31591048 0.76 PNMT (0.48) PNMTADRA2AADRA2BADRA2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558502-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 EP disclosed
CN-120051470-A Azaquinazoline compounds and methods of use 依安彼克医疗有限公司 2025-05-27 CN disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed