SCHEMBL3469929

SCHEMBL3469929

O=C(N/N=C/c1ccncc1)c1c[nH]nn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
POLB P06746 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL30808829 0.86 MEN1 (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL29903394 0.85 MAPT (0.61) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL30808838 0.84 KMT2A (0.61) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL30808836 0.83 KMT2A (0.67) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29903249 0.81 RAB9A (0.62) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29903328 0.80 CYP2D6 (0.60) KMT2AMEN1NPC1POLBCYP2D6
SCHEMBL30808831 0.77 NPC1 (0.62) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL21441798 0.77 KMT2A (0.74) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29831996 0.77 KMT2A (0.74) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL30808841 0.76 KMT2A (0.58) KMT2AMEN1NPC1RAB9APOLB

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-20100086921-A1 GENETIC SUSCEPTIBILITY VARIANTS OF TYPE 2 DIABETES MELLITUS SAGA INVESTMENTS LLC 2010-04-08 US disclosed