SCHEMBL9873198

SCHEMBL9873198

C/C(=N/Nc1nc(C)cc(CF)n1)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 5/20 0.44
LMNA P02545 6/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 3/20 0.43
MAPT P10636 8/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9873203 1.00 MEN1 (0.46) MEN1KMT2AGAALMNAHTT
SCHEMBL9873329 0.88 MEN1 (0.46) MEN1KMT2AGAALMNAHTT
Ferimzone SCHEMBL674027 0.87 LMNA (0.56) MEN1KMT2AGAALMNAHTT
Ferimzone SCHEMBL29733683 0.87 LMNA (0.56) MEN1KMT2AGAALMNAHTT
Ferimzone SCHEMBL674026 0.87 LMNA (0.56) MEN1KMT2AGAALMNAHTT
Ferimzone SCHEMBL22255 0.87 LMNA (0.56) MEN1KMT2AGAALMNAHTT
SCHEMBL9874086 0.85 MEN1 (0.44) MEN1KMT2AGAALMNAHTT
SCHEMBL9874092 0.85 MEN1 (0.44) MEN1KMT2AGAALMNAHTT
SCHEMBL9874385 0.85 MEN1 (0.37) MEN1KMT2AGAALMNAHTT
SCHEMBL9874381 0.85 MEN1 (0.37) MEN1KMT2AGAALMNAHTT

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-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP claimed
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed