SCHEMBL11436734

SCHEMBL11436734

CC(=O)c1ccc(C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC18A3 Q16572 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
SLC9A1 P19634 2/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SLC9A2 Q9UBY0 1/20 0.45
MAPT P10636 6/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL11677038 0.84 HSP90AA1 (0.47) MEN1KMT2ASLC18A3ALDH1A1HPGD
SCHEMBL7313448 0.84 HSP90AA1 (0.47) MEN1KMT2ASLC18A3ALDH1A1HPGD
SCHEMBL11445603 0.79 OPRL1 (0.50) MEN1KMT2AALDH1A1HPGDSLC9A1
SCHEMBL11442373 0.79 SLC9A1 (0.51) ALDH1A1SLC9A1ADRA1DHTR2ASLC6A3
SCHEMBL14800306 0.76 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL27430080 0.76 VCAM1 (0.56) MEN1KMT2ASLC18A3ALDH1A1HPGD
SCHEMBL29404544 0.76 MAPT (0.46) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL11445633 0.75 QDPR (0.49) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL11965650 0.73 HPGD (0.58) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL27569116 0.72 VCAM1 (0.51) MEN1KMT2ASLC18A3ALDH1A1HPGD

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-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP disclosed
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed