SCHEMBL6250049

SCHEMBL6250049

O=C(Nc1[c]cccc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
POLB P06746 5/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 2/20 0.50
GRIK1 P39086 1/20 0.50
NPC1 O15118 1/20 0.50
THRB P10828 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL9725165 0.80 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL2196592 0.77 DDX3X (0.55) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL4067352 0.77 CA12 (0.52) MEN1KMT2ATSHRGRIK1TRPV1
SCHEMBL7759976 0.76 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL6567619 0.76 KMT2A (0.65) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL194876 0.74 MEN1 (0.62) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL22103682 0.74 ALDH1A1 (0.66) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL1462231 0.74 GRIK1 (0.72) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL5481186 0.73 RAB9A (0.34) KDM4EALDH1A1TSHRPOLBRAB9A
Hydrochloric Acid SCHEMBL9004750 0.73 MEN1 (0.60) MEN1KMT2AKDM4EALDH1A1TSHR

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-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO disclosed