SCHEMBL9702687

SCHEMBL9702687

O=C(NCCCCCCCCCCc1nnn[nH]1)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
EPHX1 P07099 1/20 0.34
STS P08842 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.31

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
SCHEMBL9702006 0.96 CA2 (0.39) MEN1KMT2ABRD4ALDH1A1POLB
SCHEMBL9702511 0.95 CA2 (0.40) MEN1KMT2ABRD4ALDH1A1POLB
SCHEMBL9703700 0.95 CA2 (0.39) MEN1KMT2ABRD4ALDH1A1POLB
SCHEMBL9703869 0.94 CA2 (0.41) MEN1KMT2ABRD4ALDH1A1POLB
SCHEMBL9702524 0.90 CA1 (0.42) MEN1KMT2ABRD4ALDH1A1POLB
SCHEMBL9702689 0.84 L3MBTL1 (0.49) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL9702987 0.84 CA1 (0.46) ALDH1A1CA2CA1STSL3MBTL1
SCHEMBL6923807 0.76 EPHX2 (0.33)
SCHEMBL18839683 0.76 EPHX2 (0.32) KMT2AALDH1A1SMN1; SMN2
SCHEMBL10646954 0.76 CA1 (0.40) ALDH1A1CA2CA1STS

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
WO-1992011248-A1 NOVEL ALIPHATIC AMIDES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed