SCHEMBL4426141

SCHEMBL4426141

O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
HSD17B10 Q99714 3/20 0.72
ALDH1A1 P00352 5/20 0.71
MEN1 O00255 2/20 0.69
SMN1; SMN2 Q16637 4/20 0.67
KDM4E B2RXH2 2/20 0.67
HPGD P15428 1/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 1/20 0.62
PKM P14618 1/20 0.62
GAA P10253 1/20 0.60
POLB P06746 2/20 0.57
MITF O75030 1/20 0.57
SLC6A9 P48067 1/20 0.55
SLC6A5 Q9Y345 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
SCHEMBL4424444 0.88 KMT2A (0.78) KMT2AHSD17B10ALDH1A1MEN1SMN1; SMN2
SCHEMBL4423531 0.79 ALDH1A1 (0.72) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL4423549 0.79 ALDH1A1 (0.83) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL22767345 0.78 LMNA (0.74) KMT2AALDH1A1MEN1SMN1; SMN2HPGD
SCHEMBL4421403 0.78 LMNA (0.91) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL22767393 0.77 SMN1; SMN2 (0.72) KMT2AALDH1A1MEN1SMN1; SMN2HPGD
SCHEMBL4423010 0.77 SLC6A5 (0.74) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4423014 0.76 LMNA (1.00) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL4426219 0.76 ALDH1A1 (0.64) KMT2AHSD17B10ALDH1A1MEN1SMN1; SMN2
SCHEMBL4423374 0.75 ALDH1A1 (0.66) KMT2AALDH1A1SMN1; SMN2KDM4ELMNA

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-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP claimed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed