SCHEMBL5735487

SCHEMBL5735487

CCOc1ccc(NC(=O)c2ccc3c([N+](=O)[O-])cccc3c2C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
NPC1 O15118 8/20 0.48
RAB9A P51151 7/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.47
AHR P35869 1/20 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
SCHEMBL6984531 0.76 MEN1 (0.53) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL5734580 0.74 KMT2A (0.45) MEN1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL11598538 0.74 NPC1 (0.67) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL18103399 0.71 NPC1 (0.53) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL10960859 0.70 KMT2A (1.00) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL7189487 0.69 NPC1 (0.72) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL7159826 0.68 MEN1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14112088 0.68 MEN1 (0.80) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL7120591 0.67 TAS1R3 (0.70) MEN1KMT2ANPC1TP53SMN1; SMN2
SCHEMBL10708495 0.67 KDM4E (0.57) MEN1KMT2ANPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930883-B1 NEUROTROPHIN ANTAGONISTS FOR THE TREATMENT OF EPILEPSY, ALZHEIMER'S DISEASE AND PAIN ALLELIX BIOPHARMA (CA) 2006-01-11 EP claimed