SCHEMBL28453054

SCHEMBL28453054

N#CC1OC1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
CUL4A Q13619 1/20 0.38
FADS1 O60427 6/20 0.36
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
ALOX15 P16050 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
SCHEMBL19328560 0.80 EPHX1 (0.36) EPHX1CUL4A
SCHEMBL19328561 0.80 EPHX1 (0.36) EPHX1CUL4A
SCHEMBL19328562 0.80 EPHX1 (0.36) EPHX1CUL4A
SCHEMBL19328583 0.80 EPHX1 (0.36) EPHX1CUL4A
SCHEMBL19328624 0.79 RET (0.37) KDM4ELMNAMAPTALOX15
SCHEMBL28453023 0.79 ALDH1A1 (0.38) KDM4ELMNAMAPTALOX15
SCHEMBL19328570 0.79 RET (0.37) KDM4ELMNAMAPTALOX15
SCHEMBL28445267 0.79 GAA (0.36) KDM1AKDM4E
SCHEMBL28453118 0.79 TSHR (0.41)
SCHEMBL19328623 0.79 RET (0.37) KDM4ELMNAMAPTALOX15

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-109503454-B Preparation method of indole compound 北京化工大学 2020-09-04 CN disclosed