SCHEMBL6167415

SCHEMBL6167415

Nc1cc(C(=O)OC(=O)c2cc(N3CCOCC3)cc([N+](=O)[O-])c2)cc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 8/20 0.44
ALDH1A1 P00352 4/20 0.43
AKR1C3 P42330 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
IDE P14735 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6167412 0.88 KMO (0.48) MAPTALDH1A1AKR1C3KDM4ELMNA
SCHEMBL17542589 0.84 MAPT (0.48) POLBMAPTALDH1A1AKR1C3MEN1
SCHEMBL2710964 0.83 LMNA (0.57) NPC1POLBMAPTALDH1A1AKR1C3
SCHEMBL1172381 0.81 SMN1; SMN2 (0.57) MAPTALDH1A1AKR1C3MEN1KMT2A
Morpholine SCHEMBL6167416 0.80 MAPT (0.46) NPC1POLBMAPTALDH1A1MEN1
SCHEMBL1172309 0.80 NPC1 (0.56) NPC1POLBMAPTALDH1A1MEN1
SCHEMBL1172184 0.80 KMO (0.55) MAPTALDH1A1AKR1C3KMT2AKDM4E
SCHEMBL5129188 0.79 MAPT (0.50) NPC1MAPTALDH1A1AKR1C3KDM4E
SCHEMBL2712184 0.77 MRGPRX4 (0.49) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL1172369 0.76 MAPT (0.54) POLBMAPTALDH1A1AKR1C3MEN1

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-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed