SCHEMBL2859307

SCHEMBL2859307

O=C(NCc1ccc(Cl)c(Cl)c1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
P2RX7 Q99572 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CCR1 P32246 4/20 0.44
PPARG P37231 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
DDR1 Q08345 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
DDR2 Q16832 1/20 0.41

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
SCHEMBL2862714 0.92 TSHR (0.46) TSHRP2RX7CCR1SMN1; SMN2MAPT
SCHEMBL2852241 0.91 MAPK1 (0.53) TSHRP2RX7CCR1SMN1; SMN2MAPK1
SCHEMBL2858209 0.91 CCR1 (0.48) TSHRP2RX7CCR1SMN1; SMN2MAPK1
SCHEMBL2860826 0.90 KDM4E (0.43) P2RX7KDM4EALDH1A1CCR1PPARG
SCHEMBL2856356 0.89 ALDH1A1 (0.47) KDM4EALDH1A1CCR1NPSR1SMN1; SMN2
SCHEMBL2856625 0.89 TSHR (0.48) TSHRP2RX7CCR1PPARGNPSR1
SCHEMBL2861243 0.88 KDM4E (0.52) KDM4EALDH1A1CCR1NPSR1SMN1; SMN2
SCHEMBL2856212 0.87 CCR1 (0.47) TSHRP2RX7CCR1NPSR1SMN1; SMN2
SCHEMBL2854847 0.86 ALDH1A1 (0.48) P2RX7KDM4EALDH1A1CCR1SMN1; SMN2
SCHEMBL2852454 0.86 KDM4E (0.48) KDM4EALDH1A1CCR1SMN1; SMN2MAPT

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