SCHEMBL2854798

SCHEMBL2854798

O=C(Nc1cnc2ccccc2c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
TMPRSS4 Q9NRS4 1/20 0.45
KDR P35968 5/20 0.42
TRPV1 Q8NER1 3/20 0.42
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HDAC4 P56524 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2852636 0.89 NPC1 (0.46) MEN1POLBKMT2ATRPV1NOTUM
SCHEMBL2848317 0.85 MAPT (0.46) MEN1POLBKMT2AKDM4ENPC1
SCHEMBL2852244 0.84 MAPT (0.48) MEN1POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL2852783 0.84 TMPRSS4 (0.57) TMPRSS4KDRMALT1
SCHEMBL2860975 0.83 MAPT (0.49) MEN1POLBKMT2AKDRKDM4E
SCHEMBL2850258 0.82 MAPT (0.51) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL2861576 0.82 MAPT (0.45) POLBCNR1KDM4ENPC1SMN1; SMN2
SCHEMBL2854221 0.81 MAPT (0.51) MEN1KMT2ACNR2TMPRSS4KDM4E
SCHEMBL2854572 0.81 RAB9A (0.44) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL2852565 0.81 MAPT (0.42) MEN1KMT2ACNR1KDM4ENPC1

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