SCHEMBL3854038

SCHEMBL3854038

Nc1ccnc2cc(F)ccc12.Nc1ccnc2cc(F)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
SOS2 Q07890 1/20 0.61
NCF1 P14598 1/20 0.53
FERMT2 Q96AC1 1/20 0.53
GAK O14976 1/20 0.42
GRM4 Q14833 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.39
MAP4K4 O95819 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NSD3 Q9BZ95 3/20 0.38
NSD2 O96028 1/20 0.38
MYC P01106 1/20 0.38
ACVR1 Q04771 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
BACE1 P56817 1/20 0.37
GRM5 P41594 1/20 0.37
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37

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
SCHEMBL624006 1.00 NR4A2 (0.61) NR4A2SOS2NCF1FERMT2GAK
SCHEMBL16446547 0.84 NR4A2 (0.61) NR4A2SOS2NCF1FERMT2GAK
SCHEMBL3073397 0.79 NR4A2 (0.66) NR4A2SOS2NCF1ALDH1A1ACHE
SCHEMBL30044428 0.79 NR4A2 (0.66) NR4A2SOS2NCF1ALDH1A1ACHE
SCHEMBL6660966 0.77 GRM4 (0.56) FERMT2GAKGRM4NSD3NSD2
SCHEMBL596040 0.76 NR4A2 (1.00) NR4A2SOS2NCF1FERMT2ALDH1A1
SCHEMBL16705392 0.76 FERMT2 (0.49) NR4A2SOS2FERMT2GAKGRM4
SCHEMBL4619603 0.76 FERMT2 (0.49) FERMT2GAKGRM4CCNCCDK8
SCHEMBL3319590 0.76 NR4A2 (0.61) NR4A2SOS2NCF1FERMT2GAK
SCHEMBL3071029 0.76 NR4A2 (0.61) NR4A2SOS2NCF1ALDH1A1ACHE

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
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed