SCHEMBL27675595

SCHEMBL27675595

COc1cccc(F)c1C(=O)NC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
RAB9A P51151 1/20 0.51
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABL1 P00519 1/20 0.48
SRC P12931 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL27675554 0.89 KMT2A (0.58) KMT2ARAB9AGAAMAPTATM
SCHEMBL6989541 0.83 JAK2 (0.53) KMT2ARAB9AMEN1ATMSMN1; SMN2
SCHEMBL8658970 0.83 ATM (0.60) KMT2AGAAATMALDH1A1SMN1; SMN2
SCHEMBL6989383 0.82 KMT2A (0.59) KMT2ARAB9AGAAKDM4EMEN1
SCHEMBL19537447 0.82 KMT2A (0.59) KMT2ARAB9AGAAKDM4EMEN1
SCHEMBL4921124 0.82 CA12 (0.55) KMT2ARAB9AKDM4ETDP1ALDH1A1
SCHEMBL29849387 0.82 CA12 (0.55) KMT2ARAB9AKDM4ETDP1ALDH1A1
SCHEMBL24571699 0.79 KMT2A (0.60) KMT2ARAB9AGAAKDM4EMEN1
SCHEMBL3116291 0.78 KMT2A (0.58) KMT2ARAB9AGAAKDM4EABL1
SCHEMBL19531858 0.78 KMT2A (0.55) KMT2ARAB9AGAAKDM4EMEN1

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
CN-85109721-A Preparation has the ectoparasite of the no disease homoiothermic animal of control and the method for endoparasite compositions 1987-07-15 CN disclosed