SCHEMBL8830243

SCHEMBL8830243

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
KAT2B Q92831 1/20 0.48
CYP3A4 P08684 3/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
PARP1 P09874 2/20 0.41
MEN1 O00255 3/20 0.41
MITF O75030 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RXRA P19793 1/20 0.41

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) LMNAMAPTSMN1; SMN2HTTKAT2B
SCHEMBL8830296 0.85 KAT2B (0.46) LMNAMAPTSMN1; SMN2HTTKAT2B
SCHEMBL12329536 0.85 MAPT (0.44) LMNAMAPTSMN1; SMN2HTTCYP3A4
SCHEMBL8830299 0.84 HPGD (0.46) LMNAMAPTSMN1; SMN2HTTKAT2B
SCHEMBL5913121 0.83 POLB (0.42) LMNAMAPTSMN1; SMN2HTTCYP3A4
SCHEMBL13634220 0.83 ALDH1A1 (0.48) LMNAMAPTSMN1; SMN2HTTKAT2B
SCHEMBL27907999 0.79 CES2 (0.52) LMNAMAPTSMN1; SMN2HTTKAT2B
SCHEMBL404538 0.78 TSHR (0.58) LMNAMAPTSMN1; SMN2HTTCYP3A4
SCHEMBL10959235 0.77 TSHR (0.55) LMNAMAPTSMN1; SMN2HTTKAT2B
SCHEMBL11225857 0.76 ALDH1A1 (0.51) LMNAMAPTSMN1; SMN2HTTKAT2B

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