SCHEMBL7528801

SCHEMBL7528801

[N]N(C(=N)Nc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.40
TAS2R38 P59533 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 2/20 0.40
EPHX1 P07099 1/20 0.40
CDK9 P50750 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
USP2 O75604 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NOX1 Q9Y5S8 2/20 0.38
GAA P10253 1/20 0.38
TYR P14679 1/20 0.38
NAPRT Q6XQN6 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
SCHEMBL109209 0.79 ALDH1A1 (0.43) HSD17B10TAS2R38TP53TSHRALDH1A1
SCHEMBL1792956 0.79 ALDH1A1 (0.43) HSD17B10TAS2R38TP53TSHRALDH1A1
SCHEMBL1815230 0.78 HSD17B10 (0.47) HSD17B10TAS2R38TP53TSHRALDH1A1
Hydrochloric Acid SCHEMBL3143822 0.78 ALDH1A1 (0.41) HSD17B10TAS2R38TP53TSHRALDH1A1
SCHEMBL9113008 0.76 HTT (0.49) HSD17B10TAS2R38ALDH1A1EPHX2SMN1; SMN2
SCHEMBL5961424 0.76 ALDH1A1 (0.42) HSD17B10TAS2R38TP53TSHRALDH1A1
SCHEMBL6049094 0.76 MEN1 (0.42) HSD17B10TAS2R38TP53TSHRALDH1A1
SCHEMBL720476 0.76 TAS2R38 (0.40) HSD17B10TAS2R38TP53TSHRALDH1A1
SCHEMBL7787793 0.76 KMT2A (0.65) HSD17B10TP53TSHRALDH1A1MEN1
SCHEMBL28133735 0.74 HSD17B10 (0.39) HSD17B10TAS2R38TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672733-B1 Waterfast dyes for ink jet recording fluids SCITEX DIGITAL PRINTING INC (US) 2002-04-10 EP claimed