SCHEMBL28913596

SCHEMBL28913596

NC(=S)Nc1cc(F)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.37
TYR P14679 1/20 0.37

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
SCHEMBL3660048 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1KMT2ACYP1A2KDM4E
SCHEMBL28556362 0.78 L3MBTL1 (0.38) L3MBTL1ALDH1A1KMT2ACYP1A2KDM4E
SCHEMBL13831 0.77 KIF11 (0.51) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL20560665 0.77 CA12 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2CA12
SCHEMBL17538776 0.77 TAS2R38 (0.37) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL30682783 0.77 KIF11 (0.51) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL30542253 0.77 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1KMT2ACYP1A2KDM4E
SCHEMBL140667 0.77 LMNA (0.53) L3MBTL1ALDH1A1KMT2ACYP1A2KDM4E
SCHEMBL29639366 0.77 LMNA (0.53) L3MBTL1ALDH1A1KMT2ACYP1A2KDM4E
SCHEMBL145336 0.77 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1KMT2ACYP1A2KDM4E

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-112582673-A Lithium ion battery electrolyte and lithium ion battery 比亚迪股份有限公司 2021-03-30 CN disclosed