SCHEMBL7349752

SCHEMBL7349752

CCOC(=O)c1ccc(-n2c(=O)c(=O)[nH]c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAT2A P31153 1/20 0.46
MAPK1 P28482 1/20 0.46
ELANE P08246 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL7353929 0.89 ELANE (0.48) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7357961 0.84 MEN1 (0.53) ALDH1A1MEN1KMT2AMPIAPOBEC3G
SCHEMBL7356200 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDMPI
SCHEMBL7357010 0.75 GRIK1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7353664 0.74 MEN1 (0.53) ALDH1A1MEN1KMT2ATP53POLB
SCHEMBL7347911 0.74 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL20334035 0.74 SMN1; SMN2 (0.64) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7353360 0.73 GRIK1 (0.59) ALDH1A1MAPT
SCHEMBL9082101 0.73 CHEK1 (0.47) ALDH1A1MAPTSMN1; SMN2ELANE
SCHEMBL7352546 0.73 PARG (0.47) ALDH1A1MEN1KMT2ALMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US claimed
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed