SCHEMBL2777926

SCHEMBL2777926

c1ccc(CN=NNc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
CYP1A1 P04798 1/20 0.48
TSHR P16473 1/20 0.48
CYP1B1 Q16678 1/20 0.48
EGFR P00533 1/20 0.44
MEN1 O00255 2/20 0.41
CASP3 P42574 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 1/20 0.39
MIF P14174 1/20 0.39
HPGD P15428 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8157921 0.87 HTT (0.50) TDP1CYP1A1TSHRCYP1B1EGFR
SCHEMBL11147946 0.87 HTT (0.50) TDP1CYP1A1TSHRCYP1B1EGFR
SCHEMBL8157923 0.87 HTT (0.50) TDP1CYP1A1TSHRCYP1B1EGFR
SCHEMBL7898983 0.84 TDP1 (0.54) TDP1CYP1A1TSHRCYP1B1MEN1
SCHEMBL7911594 0.80 TDP1 (0.50) TDP1CYP1A1TSHRCYP1B1MEN1
SCHEMBL2425836 0.77 TDP1 (0.41) TDP1CYP1A1TSHRCYP1B1NPC1
SCHEMBL3501691 0.76 TSHR (0.50) TDP1CYP1A1TSHRCYP1B1MEN1
SCHEMBL15579853 0.76 CYP3A4 (0.43) MEN1KMT2AALDH1A1TRPA1CYP3A4
SCHEMBL9055960 0.75 TDP1 (0.67) TDP1CYP1A1TSHRCYP1B1MEN1
SCHEMBL15506263 0.75 ALDH1A1 (0.52) TSHRALDH1A1TRPA1CYP3A4MIF

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-20100178203-A1 Non-Invasive Colorimetric-Based Infection Detector And Infection Detecting Bandage POLESTAR TECHNOLOGIES, INC. (US) 2010-07-15 US claimed
US-20100178203-A1 Non-Invasive Colorimetric-Based Infection Detector And Infection Detecting Bandage POLESTAR TECHNOLOGIES, INC. (US) 2010-07-15 US disclosed