SCHEMBL6986059

SCHEMBL6986059

O=C(NCc1cccnc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 1.00
SMN1; SMN2 Q16637 1/20 0.73
POLB P06746 1/20 0.73
USP2 O75604 1/20 0.66
THRB P10828 1/20 0.65
HPGD P15428 3/20 0.64
TSHR P16473 1/20 0.64
LMNA P02545 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 2/20 0.57
NAMPT P43490 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL19246188 0.85 KMT2A (0.75) HTTHPGDLMNAKMT2AALDH1A1
SCHEMBL30236290 0.85 KMT2A (0.75) HTTHPGDLMNAKMT2AALDH1A1
SCHEMBL9648012 0.84 HTT (0.76) HTTSMN1; SMN2POLBUSP2THRB
SCHEMBL8567201 0.84 HTT (0.73) HTTSMN1; SMN2POLBUSP2THRB
SCHEMBL9646386 0.81 HTT (0.70) HTTSMN1; SMN2POLBUSP2THRB
SCHEMBL10686822 0.81 HTT (0.67) HTTSMN1; SMN2POLBUSP2HPGD
SCHEMBL8432202 0.80 USP2 (1.00) HTTUSP2HPGDTSHRLMNA
SCHEMBL28045706 0.79 HTT (0.65) HTTSMN1; SMN2POLBHPGDKMT2A
SCHEMBL1399530 0.79 USP2 (0.72) HTTUSP2HPGDTSHRLMNA
SCHEMBL11625657 0.79 USP2 (0.72) HTTSMN1; SMN2USP2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed