SCHEMBL5221511

SCHEMBL5221511

CCn1cnc2c(NC(=O)CCCCl)cc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 4/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
YTHDC1 Q96MU7 1/20 0.36
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL5221827 0.78 KDM4E (0.41) ALDH1A1KDM4EATMHSD17B10HPGD
SCHEMBL5219842 0.78 KDM4E (0.40) ALDH1A1KDM4EATMHSD17B10HPGD
SCHEMBL5217023 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EATMHSD17B10HPGD
SCHEMBL309368 0.76 KDM4E (0.41) ALDH1A1KDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL5224165 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EATMHSD17B10HPGD
SCHEMBL5217329 0.74 YTHDC1 (0.34) ALDH1A1KDM4ESMN1; SMN2POLBTDP1
SCHEMBL5221529 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EATMHSD17B10HPGD
SCHEMBL5218276 0.71 KDM4E (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL475604 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL5220585 0.70 ALDH1A1 (0.63) ALDH1A1KDM4EATMHSD17B10HPGD

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed