SCHEMBL9635656

SCHEMBL9635656

NC(=O)c1nonc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PDPK1 O15530 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
BTK Q06187 2/20 0.34
LCK P06239 1/20 0.34
MAP2K3 P46734 1/20 0.34
MAP2K6 P52564 1/20 0.34
MAP3K19 Q56UN5 1/20 0.34
NEK10 Q6ZWH5 1/20 0.34
ADORA2A P29274 1/20 0.33
TBXA2R P21731 1/20 0.33
PKM P14618 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IKBKB O14920 2/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL5672197 0.84
SCHEMBL30999054 0.83 KMT2A (0.40) KMT2ACA12CA1CA2CA9
SCHEMBL353456 0.82
SCHEMBL21414760 0.82 KMT2A (0.39) KMT2ACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL31693577 0.80 PKM (0.41) KMT2ACA12CA1CA2CA9
SCHEMBL1404404 0.80 KMT2A (0.37) KMT2ACA12CA1CA2CA9
SCHEMBL30281199 0.78 CA12 (0.33) KMT2ACA12CA1CA2CA9
SCHEMBL30281258 0.78 CA12 (0.45) KMT2ACA12CA1CA2CA9
SCHEMBL23989453 0.77 KMT2A (0.35) KMT2ACA12CA1CA2CA9
SCHEMBL22207562 0.77 KMT2A (0.34) KMT2ACA12CA1CA2CA9

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
US-5147553-A Separation of fluid mixture IONICS, INCORPORATED (US) 1992-09-15 US disclosed