SCHEMBL9745731

SCHEMBL9745731

CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCC2=C(C(=O)O)N4C(=O)[C@@H](NC=O)[C@H]4SC2)cn3CCF)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 11/20 0.48
HPGD P15428 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 1/20 0.48
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.45
RAD52 P43351 1/20 0.45
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL9744180 0.96 DRD3 (0.55) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL9744130 0.89 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL9744140 0.89 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL9743994 0.87 L3MBTL1 (0.54) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL22014785 0.84 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8497966 0.83 DRD3 (0.56) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL9548110 0.83 DRD3 (0.49) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL9744011 0.80 NR1I2 (0.54) ALDH1A1KMT2AHSD17B10MAPTLMNA
SCHEMBL9744839 0.80 L3MBTL1 (0.52) ALDH1A1DRD3KDM4EHPGDMEN1
SCHEMBL9744163 0.80 DRD3 (0.44) ALDH1A1DRD3KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147871-A Anti-bacterial cephalosporin compounds HOFFMANN LA-ROCHE, INC. (US) 1992-09-15 US claimed