SCHEMBL7571514

SCHEMBL7571514

COc1ccc(Sc2ncccc2OC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
P2RX7 Q99572 6/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC11 Q96DB2 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7572957 0.90 RAB9A (0.48) ALDH1A1MEN1KMT2AP2RX7KDM4E
SCHEMBL7570515 0.87 P2RX7 (0.47) ALDH1A1MEN1KMT2AP2RX7KDM4E
Hydrochloric Acid SCHEMBL7572364 0.86 MAPT (0.47) ALDH1A1MEN1KMT2AP2RX7KDM4E
SCHEMBL7571682 0.85 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AP2RX7EPHX2
SCHEMBL7578023 0.85 P2RX7 (0.49) ALDH1A1MEN1KMT2AP2RX7KDM4E
SCHEMBL7572642 0.79 P2RX7 (0.43) ALDH1A1MEN1KMT2AP2RX7KDM4E
Hydrochloric Acid SCHEMBL7570206 0.76 P2RX7 (0.48) ALDH1A1MEN1KMT2AP2RX7KDM4E
SCHEMBL7569262 0.74 P2RX7 (0.57) ALDH1A1MEN1KMT2AP2RX7HPGD
Trifluoroacetic Acid SCHEMBL7577511 0.74 P2RX7 (0.41) ALDH1A1MEN1KMT2AP2RX7KDM4E
SCHEMBL7571707 0.74 P2RX7 (0.57) ALDH1A1MEN1KMT2AP2RX7KDM4E

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-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed