SCHEMBL30879181

SCHEMBL30879181

CS(=O)(=O)CC1CCCN(c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.53
HTT P42858 3/20 0.53
HTR1A P08908 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
CTSB P07858 1/20 0.41
AR P10275 1/20 0.41
GAA P10253 1/20 0.41
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL30921278 0.93 KMT2A (0.55) ALDH1A1LMNAKMT2AHTTHTR1A
SCHEMBL30879232 0.81 KEAP1 (0.47) ALDH1A1LMNAKMT2AHTTGAA
SCHEMBL18600280 0.81 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AHTTHTR1A
SCHEMBL2561960 0.80 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL7061229 0.78 MAPT (0.63) ALDH1A1LMNAKMT2AHTTHTR1A
SCHEMBL9983995 0.76 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AHTTHTR1A
SCHEMBL30921265 0.76 HTT (0.66) ALDH1A1LMNAKMT2AHTTHSD11B1
SCHEMBL3436184 0.76 LMNA (0.64) ALDH1A1LMNAKMT2AHTTHTR1A
SCHEMBL14206762 0.73 LMNA (0.53) ALDH1A1LMNAKMT2AMAPTTDP1
SCHEMBL14206405 0.73 LMNA (0.53) ALDH1A1LMNAKMT2AMAPTTDP1

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-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
EP-4612149-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed