SCHEMBL28132258

SCHEMBL28132258

c1ccc(Nc2nncnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ BCL6 P41182 1/20 0.47

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
SCHEMBL23888752 0.85 HSD17B10 (0.61) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL633400 0.74 MEN1 (0.77) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL824411 0.71 BCL6 (0.74) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL609197 0.71 BCL6 (0.57) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL12015941 0.70 MAPT (0.51) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL15968669 0.70 AURKA (0.63) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL911 0.70 AURKA (0.63) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL18123046 0.70 MEN1 (0.71) HSD17B10LMNAMAPTMEN1KMT2A
Diphenylamine SCHEMBL3003404 0.69 HSD17B10 (1.00) HSD17B10LMNAMAPTMEN1KMT2A
Diphenylamine SCHEMBL1619083 0.69 HSD17B10 (1.00) HSD17B10LMNAMAPTMEN1KMT2A

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
CN-106565762-B A kind of in situ BODIPY classes dyestuff for generating near-infrared fluorescent and its preparation and application 陕西师范大学 2018-10-23 — — CN disclosed
CN-106565762-A BODIPY dyes for generating near infrared fluorescence in situ as well as preparation method for BODIPY dyes and application of BODIPY dyes 陕西师范大学 2017-04-19 — — CN disclosed
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