SCHEMBL2854514

SCHEMBL2854514

O=C(NC(c1ccccn1)c1ccccn1)Oc1cnn(-c2ncccn2)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.35
DRD2 P14416 3/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
STAT6 P42226 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL2860499 0.91 RAB9A (0.35) CNR2DRD2MAPTPOLBSMN1; SMN2
SCHEMBL2862815 0.87 DRD2 (0.41) DRD2MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL2856129 0.85 DRD2 (0.35) CNR2DRD2MAPTCNR1MAPK1
SCHEMBL2859870 0.85 TLR7 (0.38) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2854040 0.81 KDM4E (0.48) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2900711 0.76 MAPT (0.40) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2854678 0.76 ATR (0.40) MAPTKDM4ECYP2C9
SCHEMBL2857444 0.74 ALDH1A1 (0.42) MAPTKDM4EALDH1A1TSHRMAPK1
SCHEMBL2858340 0.74 MALT1 (0.42) CNR2DRD2
SCHEMBL2861607 0.74 TRPV1 (0.42) SMN1; SMN2

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