SCHEMBL8070686

SCHEMBL8070686

CC(C)N(C(=O)c1cc(N)c(-c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SRD5A2 P31213 2/20 0.47
HCAR3 P49019 10/20 0.43
TSHR P16473 2/20 0.43
CASP6 P55212 1/20 0.43
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL8070684 1.00 LMNA (0.49) LMNASRD5A2HCAR3TSHRCASP6
SCHEMBL8078533 0.92 SRD5A2 (0.51) LMNASRD5A2HCAR3TSHRCASP6
SCHEMBL8695884 0.90 LMNA (0.39) LMNASRD5A2HCAR3TSHRMAPK1
SCHEMBL8433598 0.88 VCAM1 (0.46) LMNASRD5A2MEN1KMT2AERN1
SCHEMBL8437445 0.87 SRD5A2 (0.47) LMNASRD5A2HCAR3TSHRCASP6
SCHEMBL8437651 0.86 SRD5A2 (0.46) LMNASRD5A2
SCHEMBL8435101 0.79 VCAM1 (0.50) LMNASRD5A2MEN1KMT2AERN1
SCHEMBL8433883 0.74 SRD5A2 (0.47) LMNASRD5A2
SCHEMBL8435617 0.73 SRD5A2 (0.46) LMNASRD5A2
SCHEMBL8433248 0.72 SRD5A2 (0.59) LMNASRD5A2TSHR

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-0757982-B1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP disclosed