SCHEMBL29990004

SCHEMBL29990004

CN1CCc2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ADRA2A P08913 1/20 0.50
PNMT P11086 1/20 0.50
SIRT6 Q8N6T7 1/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 1/20 0.47
DRD1 P21728 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
DRD5 P21918 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL20232216 1.00 MAOA (0.50) MAOAMAOBMEN1KMT2AADRA2A
SCHEMBL29558059 0.95 ADRA2A (0.51) MAOAMAOBMEN1KMT2AADRA2A
SCHEMBL324724 0.95 ADRA2A (0.51) MAOAMAOBMEN1KMT2AADRA2A
SCHEMBL1950525 0.95 PNMT (0.54) MEN1KMT2AADRA2APNMTSIRT6
Hydrochloric Acid SCHEMBL7832321 0.94 ADRA2A (0.50) MAOAMAOBMEN1KMT2AADRA2A
SCHEMBL29119402 0.89 LMNA (0.50) ADRA2APNMTSIRT6POLBNPC1
SCHEMBL29945643 0.86 DPP7 (0.50) MEN1KMT2AADRA2APNMTSIRT6
SCHEMBL1952321 0.86 LMNA (0.50) MEN1KMT2AADRA2APNMTSIRT6
SCHEMBL30612412 0.82 ACHE (0.44) MEN1KMT2AADRA2APNMTSIRT6
SCHEMBL13012409 0.81 HTR1A (0.47) MEN1KMT2AADRA2APNMTSIRT6

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-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 CN disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed