SCHEMBL7745227

SCHEMBL7745227

CS(=O)(=O)NCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
ALDH1A1 P00352 5/20 0.69
HTT P42858 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
POLB P06746 2/20 0.67
PKM P14618 1/20 0.67
LMNA P02545 3/20 0.65
GAA P10253 2/20 0.62
KAT2B Q92831 2/20 0.61
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6198859 0.85 KAT2B (0.80) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL12515298 0.81 KAT2B (0.69) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL10800407 0.81 MAPT (0.63) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL7740648 0.81 KAT2B (0.64) MAPTALDH1A1HTTSMN1; SMN2POLB
SCHEMBL29709934 0.80 ALDH1A1 (0.53) MAPTALDH1A1HTTSMN1; SMN2PKM
SCHEMBL1039965 0.80 ALDH1A1 (0.53) MAPTALDH1A1HTTSMN1; SMN2PKM
SCHEMBL4077151 0.79 KAT2B (0.66) MAPTALDH1A1HTTSMN1; SMN2PKM
SCHEMBL7170020 0.79 KAT2B (0.81) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6200169 0.79 KAT2B (0.81) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL7167935 0.78 KAT2B (0.69) MAPTALDH1A1HTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed