SCHEMBL22928656

SCHEMBL22928656

CN(F)Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LIN28A Q9H9Z2 1/20 0.59
KCNA5 P22460 1/20 0.49
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HRH1 P35367 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL804182 0.87 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL2323126 0.86 TDP1 (0.57) TDP1MAPTSMN1; SMN2LIN28AKCNA5
Hydrochloric Acid SCHEMBL28308406 0.85 TDP1 (0.61) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL996544 0.83 TDP1 (0.64) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL210394 0.83 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL29894985 0.83 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL3600311 0.82 KDM4E (0.58) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL18301478 0.80 TDP1 (0.55) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL6051881 0.80 TDP1 (0.60) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL12245197 0.80 TDP1 (0.55) TDP1MAPTSMN1; SMN2LIN28AKCNA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3888658-A1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2021-10-06 EP disclosed
EP-3380101-B1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-01-27 EP disclosed