SCHEMBL2856499

SCHEMBL2856499

Cc1c(OC(=O)NCc2cccnc2)cnn1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.50
CCR1 P32246 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.46
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPHX1 P07099 1/20 0.45
NAMPT P43490 2/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL2859509 0.91 KMT2A (0.54) ALDH1A1MAPTSMN1; SMN2NOTUMEPHX1
SCHEMBL2853344 0.89 HPGD (0.55) ALDH1A1MAPTCCR1SMN1; SMN2TP53
SCHEMBL2852238 0.89 GAA (0.55) GAASMN1; SMN2TP53KDM4EEPHX1
SCHEMBL2863134 0.88 CCR1 (0.48) ALDH1A1MAPTCCR1SMN1; SMN2NPSR1
SCHEMBL2853267 0.85 HPGD (0.55) ALDH1A1MAPTCCR1SMN1; SMN2TP53
SCHEMBL2857180 0.83 NPSR1 (0.53) MAPTGAACCR1TP53POLB
SCHEMBL2854802 0.82 LMNA (0.48) ALDH1A1MAPTGAACCR1TP53
SCHEMBL2861261 0.81 HPGD (0.64) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL2854625 0.81 POLB (0.48) ALDH1A1GAACCR1TP53TDP1
SCHEMBL2857468 0.80 MAPT (0.47) ALDH1A1MAPTCCR1SMN1; SMN2TP53

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed