SCHEMBL2856697

SCHEMBL2856697

O=C(NCCc1ccccc1Cl)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RIPK1 Q13546 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
P2RX7 Q99572 3/20 0.42
ABCB11 O95342 1/20 0.42
HIF1A Q16665 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PLAAT3 P53816 2/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT2 Q9NWW9 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
CNR1 P21554 1/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL2857987 0.94 CNR1 (0.43) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2853063 0.93 P2RX7 (0.48) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854809 0.91 HPGD (0.45) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854705 0.90 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2858268 0.90 P2RX7 (0.48) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2857936 0.89 KDM4E (0.47) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2860131 0.88 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854716 0.87 MTNR1A (0.47) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854509 0.86 KDM4E (0.50) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2859861 0.86 TAAR1 (0.51) KDM4EALDH1A1MAPTPOLBSMN1; 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