SCHEMBL3427611

SCHEMBL3427611

O=S(=O)(O)c1ccc(N=NNCCO)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CTRB1 P17538 1/20 0.52
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NSD2 O96028 2/20 0.41
BLM P54132 2/20 0.41
POLB P06746 1/20 0.41
IDE P14735 1/20 0.41
DUSP3 P51452 1/20 0.41
CCR6 P51684 1/20 0.41
ATIC P31939 2/20 0.38
MMP14 P50281 1/20 0.38
CASP6 P55212 1/20 0.38
SENP2 Q9HC62 6/20 0.38
SENP1 Q9P0U3 5/20 0.38
SUMO2 P61956 5/20 0.38
SUMO1 P63165 5/20 0.38
SENP7 Q9BQF6 5/20 0.38

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
SCHEMBL3425776 0.85 CYP1A2 (0.50) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3423642 0.84 CYP1A2 (0.55) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3426922 0.84 CYP1A2 (0.46) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3426771 0.82 CYP1A2 (0.35) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3425394 0.82 CYP1A2 (0.52) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3426055 0.76 P2RX5 (0.39) CYP1A2MEN1KMT2ATHRBTDP1
SCHEMBL28551711 0.73 CYP1A2 (0.70) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3428032 0.72 SLC2A1 (0.37) MEN1KMT2ATHRBCASP6MPL
SCHEMBL3486861 0.72 CTRB1 (0.76) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL29378273 0.72 CYP1A2 (0.68) CYP1A2CTRB1MEN1KMT2ATHRB

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-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed