SCHEMBL16624636

SCHEMBL16624636

Oc1c(N=Nc2ccc(N=Nc3ccccc3)cc2)ccc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.78
MEN1 O00255 9/20 0.78
NPC1 O15118 7/20 0.78
L3MBTL1 Q9Y468 6/20 0.78
RAB9A P51151 5/20 0.78
MAPT P10636 6/20 0.59
TDP1 Q9NUW8 6/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
PKM P14618 1/20 0.59
OPRK1 P41145 1/20 0.59
HTT P42858 1/20 0.59
THRB P10828 2/20 0.59
CTRB1 P17538 1/20 0.56
PABPC1 P11940 1/20 0.56
IDO1 P14902 1/20 0.56
TDO2 P48775 1/20 0.56
HSP90AA1 P07900 2/20 0.51

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
SCHEMBL564010 1.00 KMT2A (0.78) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL564009 1.00 KMT2A (0.78) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL30270570 1.00 KMT2A (0.78) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL9634088 0.96 KMT2A (0.73) KMT2AMEN1NPC1L3MBTL1RAB9A
Acetic Acid SCHEMBL28560979 0.92 KMT2A (0.72) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL387565 0.90 KMT2A (0.73) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL12907079 0.88 KMT2A (0.77) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL14269269 0.88 KMT2A (1.00) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL13815341 0.87 KMT2A (0.61) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL7537537 0.87 KMT2A (0.66) KMT2AMEN1NPC1L3MBTL1RAB9A

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-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 US disclosed