SCHEMBL7477848

SCHEMBL7477848

CCC(=CCN1Cc2c(Cl)ccc([N+](=O)[O-])c2NC[C@@H]1C)CC

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL7902272 0.90 KDM4E (0.32) ALDH1A1
SCHEMBL8844328 0.88 MEN1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL8844993 0.86 MEN1 (0.35) MEN1KMT2A
SCHEMBL8844202 0.85 TDP1 (0.31) MEN1KMT2A
SCHEMBL8844514 0.85 TDP1 (0.31) MEN1KMT2A
SCHEMBL8845025 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL7475017 0.82 HTR2A (0.30)
SCHEMBL8844184 0.81 TDP1 (0.31) ALDH1A1
SCHEMBL8844676 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL8845019 0.80 MEN1 (0.31) MEN1KMT2A

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-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP disclosed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP disclosed