SCHEMBL236492

SCHEMBL236492

NNC(=O)Nc1ccccc1C(F)(F)F.O=C(O)N(c1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
POLB P06746 5/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
GRIK1 P39086 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL195968 0.83 POLQ (0.45) ALDH1A1KMT2ANPC1RAB9APOLB
SCHEMBL194876 0.83 MEN1 (0.62) ALDH1A1KDM4EMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL9004750 0.81 MEN1 (0.60) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL3793278 0.79 POLQ (0.40) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL236493 0.76 POLQ (0.38) ALDH1A1POLBGAATDP1L3MBTL1
SCHEMBL2096212 0.72 POLQ (0.44) ALDH1A1KMT2ANPC1RAB9APOLB
SCHEMBL236494 0.72 POLQ (0.35) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL2583273 0.71 POLQ (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7759976 0.70 MEN1 (0.68) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL1008398 0.69 POLB (0.63) ALDH1A1KDM4EMEN1KMT2APOLB

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
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed