SCHEMBL9751463

SCHEMBL9751463

O=C(Cl)OC1(c2ccccc2)N=NN=N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.33
F2 P00734 1/20 0.33
AKR1C1 Q04828 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HSD11B1 P28845 1/20 0.30
HTT P42858 1/20 0.30
MAOB P27338 1/20 0.30
HDAC4 P56524 1/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL987891 0.68
SCHEMBL9751295 0.67 LMNA (0.33) ALDH1A1LMNAF2AKR1C1MEN1
SCHEMBL2503374 0.66 AKR1C1 (0.47) AKR1C1SMN1; SMN2MEN1KMT2AHSD11B1
SCHEMBL1702595 0.63 MAOA (0.31) MAOB
SCHEMBL5168259 0.63 OPRM1 (0.38) ALDH1A1LMNAAKR1C1MAPTSMN1; SMN2
SCHEMBL434296 0.62 KMT2A (0.33) ALDH1A1AKR1C1MAPTMEN1KMT2A
SCHEMBL4666989 0.62 CYP2C9 (0.33) ALDH1A1LMNAAKR1C1MAPTMEN1
SCHEMBL3819684 0.62 P2RX1 (0.33) MAPTMEN1KMT2AMAOB
SCHEMBL5168618 0.62 OPRM1 (0.31) MAPTMAOB
SCHEMBL7598738 0.62 ALDH1A1 (0.34) ALDH1A1

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-0396709-A4 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME 1991-05-22 EP claimed
EP-0396709-A1 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-11-14 EP claimed