SCHEMBL6340566

SCHEMBL6340566

CC(=O)N/N=c1\sc2ccccc2n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
ALDH1A1 P00352 7/20 0.67
LMNA P02545 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
RAB9A P51151 10/20 0.66
SMN1; SMN2 Q16637 9/20 0.66
NPC1 O15118 9/20 0.66
MAPT P10636 7/20 0.66
KCNQ3 O43525 1/20 0.62
KCNQ2 O43526 1/20 0.62
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 1/20 0.53
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL5708525 1.00 KMT2A (1.00) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL11778518 0.84 SMN1; SMN2 (0.76) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL11778512 0.84 SMN1; SMN2 (0.76) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL5708496 0.81 KMT2A (0.68) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL30923526 0.81 ALDH1A1 (1.00) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL5708519 0.80 KMT2A (0.66) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL25002865 0.80 RAB9A (0.68) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL5708502 0.78 KMT2A (0.63) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL5708477 0.77 KMT2A (0.62) KMT2AALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL13790858 0.77 MAPT (0.66) KMT2AALDH1A1LMNAL3MBTL1RAB9A

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
EP-1607447-A1 Methods and compositions for dyeing a substrate Hewlett-Packard Development Company, L.P. (US) 2005-12-21 EP disclosed
US-20050274274-A1 Methods and compositions for dying a substrate HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-12-15 US disclosed