SCHEMBL8636889

SCHEMBL8636889

N#CNC(=O)c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
POLB P06746 3/20 0.53
APEX1 P27695 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
PTGS1 P23219 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL11038788 0.89 ALDH1A1 (0.41) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL28331942 0.81 LMNA (0.55) LMNAPOLBAPEX1MEN1KMT2A
SCHEMBL20524425 0.79 OGG1 (0.55) POLBMEN1KMT2ATDP1MAPT
SCHEMBL17099951 0.79 MEN1 (0.50) LMNAMEN1KMT2ASMN1; SMN2CA1
SCHEMBL2479115 0.79 ALDH1A1 (0.55) LMNAPOLBMEN1KMT2ATDP1
SCHEMBL4628703 0.79 ALDH1A1 (0.59) LMNAPOLBMEN1KMT2ATDP1
Cyanamide SCHEMBL8891222 0.79 ALDH1A1 (0.55) LMNAPOLBMEN1KMT2ATDP1
SCHEMBL262369 0.78 ALOX15 (0.54) POLBMEN1KMT2ATDP1MAPT
SCHEMBL17099953 0.78 MEN1 (0.48) LMNAMEN1KMT2ASMN1; SMN2CA1
SCHEMBL17099954 0.78 ALDH1A1 (0.53) LMNAPOLBMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694053-B1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-07-22 EP disclosed
EP-0601416-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-07-15 EP disclosed
EP-0694053-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
US-5430147-A Water-soluble anthraquinone compounds, preparation thereof, and use thereof as dyes HOECHST AG (DE) 1995-07-04 US disclosed
WO-1994024214-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-27 WO disclosed
EP-0601416-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-15 EP disclosed