SCHEMBL9715490

SCHEMBL9715490

Fc1ccccc1N1CN(c2ccccc2F)CN(c2ccccc2F)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 2/20 0.48
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MGLL Q99685 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NOTUM Q6P988 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4793090 0.82 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23161511 0.80 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3042980 0.80 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL30851436 0.78 KEAP1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1239113 0.78 KEAP1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL7611671 0.78 ALDH1A1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6005480 0.78 KEAP1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4072195 0.78 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1267622 0.77 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4069218 0.75 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308961-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-07-08 EP disclosed
US-5021412-A Protecting agricultural crops MITSUI TOATSU CHEMICALS, INC. (JP) 1991-06-04 US disclosed
EP-0308961-A1 Thiadiazines, process for production thereof, and insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-29 EP disclosed