SCHEMBL8830299

SCHEMBL8830299

CCc1ccc(C(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
KAT2B Q92831 1/20 0.45
KMT2A Q03164 3/20 0.43
PDK1 Q15118 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
ALPG P10696 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.40
NPC1 O15118 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
SCHEMBL8830192 0.85 RXRA (0.53) HPGDCYP1A2CYP3A4CYP2C19KAT2B
SCHEMBL8830296 0.85 KAT2B (0.46) HPGDCYP1A2CYP3A4CYP2C19KAT2B
SCHEMBL8830243 0.84 LMNA (0.51) HPGDCYP1A2CYP3A4CYP2C19KAT2B
SCHEMBL27664864 0.83 HPGD (0.43) HPGDCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL13634220 0.83 ALDH1A1 (0.48) HPGDCYP1A2CYP3A4CYP2C19KAT2B
Hydrochloric Acid SCHEMBL4819174 0.82 POLB (0.44) HPGDCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL18102071 0.81 HPGD (0.44) HPGDCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL27907999 0.79 CES2 (0.52) HPGDCYP1A2CYP3A4CYP2C19KAT2B
SCHEMBL8494822 0.78 TSHR (0.58) HPGDCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL11780686 0.78 KMT2A (0.61) HPGDKMT2ALMNAMAPTSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684049-A HIV-inhibiting benzeneacetamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-04 US disclosed
EP-0538301-B1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1996-10-30 EP disclosed
CN-1033142-C A process for preparing pharmaceutical composition showing properties in against human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1996-10-30 CN disclosed
US-5556886-A VIRICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-17 US disclosed
CN-1107835-A A process for preparing pharmaceutical composition showing properties in against human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-09-06 CN disclosed
CN-1028990-C Process for preparing phenylacetamide derivatives for inhibiting human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-06-21 CN disclosed
EP-0538301-A1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES. JANSSEN PHARMACEUTICA NV (BE) 1993-04-28 EP disclosed
CN-1058958-A HIV inhibiting phenylacetamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1992-02-26 CN disclosed
WO-1992000952-A1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed