SCHEMBL9744180

SCHEMBL9744180

CCn1cc(C(=O)OCC2=C(C(=O)O)N3C(=O)[C@@H](NC=O)[C@H]3SC2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.55
KDM4E B2RXH2 11/20 0.54
ALDH1A1 P00352 9/20 0.54
HPGD P15428 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 1/20 0.54
HSD17B10 Q99714 2/20 0.52
GAA P10253 1/20 0.51
RAD52 P43351 1/20 0.51
GLA P06280 1/20 0.50
LMNA P02545 1/20 0.47

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
SCHEMBL9745731 0.96 ALDH1A1 (0.57) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL8497966 0.87 DRD3 (0.56) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9548110 0.87 DRD3 (0.49) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9744130 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9744140 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9744839 0.84 L3MBTL1 (0.52) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9743994 0.84 L3MBTL1 (0.54) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL22014785 0.83 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9744163 0.83 DRD3 (0.44) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9743438 0.83 L3MBTL1 (0.53) DRD3KDM4EALDH1A1HPGDMEN1

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