SCHEMBL11204174

SCHEMBL11204174

CNc1[nH]c2cc(N3CCN(C)CC3)c(F)cc2c(=O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 10/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
GLA P06280 1/20 0.39
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
CYP2J2 P51589 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11209760 0.89 DRD3 (0.41) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL11199207 0.89 ALDH1A1 (0.48) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL11203701 0.88 HPGD (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL11204668 0.87 PIM1 (0.40) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL11208613 0.86 GAA (0.47) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL11205213 0.83 PIM1 (0.42) ALDH1A1DRD3KDM4EHPGDLMNA
SCHEMBL9379704 0.77 ALDH1A1 (0.58) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL11203471 0.77 GPR84 (0.38) ALDH1A1KDM4E
SCHEMBL31025887 0.76 ALDH1A1 (0.47) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL7009049 0.74 ALDH1A1 (0.42) ALDH1A1DRD3KDM4EMEN1KMT2A

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-0090424-A1 New quinolone compounds and preparation thereof STERLING DRUG INC. (US) 1983-10-05 EP claimed
EP-0090424-A1 New quinolone compounds and preparation thereof STERLING DRUG INC. (US) 1983-10-05 EP disclosed