SCHEMBL9011355

SCHEMBL9011355

CCCCCCCCCCCCCCCCCCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.68
HCAR3 P49019 2/20 0.59
ALDH1A1 P00352 3/20 0.55
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 2/20 0.52
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 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
SCHEMBL7970498 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3476711 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3476402 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3477027 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL11380052 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL1170743 0.98 KAT2B (0.69) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL981345 0.94 KAT2B (0.71) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL27543599 0.93 KAT2B (0.59) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL6198359 0.92 KAT2B (0.78) KAT2BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8720672 0.92 KAT2B (0.78) KAT2BALDH1A1MAPTSMN1; SMN2NPC1

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-5510224-A HYDROPHOBIC SENSITIZER SEIKO INSTRUMENTS INC. (JP) 1996-04-23 US disclosed
US-5292458-A Containing polymerizable monomer and initiator SEIKO INSTRUMENTS INC. (JP) 1994-03-08 US disclosed