SCHEMBL9848997

SCHEMBL9848997

O=C(NCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CES1 P23141 2/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 4/20 0.56
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
NPC1 O15118 2/20 0.54
MITF O75030 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53

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
SCHEMBL28723007 0.83 MEN1 (0.82) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL27815181 0.83 MAPT (0.67) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL296991 0.82 MEN1 (0.68) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL6465643 0.80 CES1 (0.61) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL165760 0.80 TSHR (0.62) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL6973230 0.80 CES1 (0.61) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL8866584 0.80 CES1 (0.61) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL223451 0.80 MAPT (0.63) ALDH1A1CES1MEN1KMT2APOLB
Potassium Ion SCHEMBL10903588 0.80 CES1 (0.61) ALDH1A1CES1MEN1KMT2APOLB
SCHEMBL9157863 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACA1MAPT

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
EP-0458197-A2 Use of N-haloamides as photoinitiators for free-radical polymerizations MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-11-27 EP claimed
EP-0458197-A2 Use of N-haloamides as photoinitiators for free-radical polymerizations MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-11-27 EP disclosed