SCHEMBL7495602

SCHEMBL7495602

O=C(O)c1ccc(OCCNc2ncccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 1/20 0.49
TBXAS1 P24557 3/20 0.48
PLA2G4B P0C869 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL8577706 0.85 MAPT (0.64) PKMMAPK1ALDH1A1L3MBTL1MEN1
SCHEMBL8973128 0.82 HTR7 (0.56) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL7031930 0.80 ITGB3 (0.63) PKMTSHRMAPK1USP2ALOX15
SCHEMBL7037804 0.79 PPARD (0.43) TSHRALDH1A1
SCHEMBL11445732 0.78 PKM (0.67) PKMTSHRMAPK1USP2ALOX15
SCHEMBL18912556 0.78 HDAC1 (0.55) TP53ALDH1A1MEN1LMNAKMT2A
SCHEMBL6802151 0.77 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2ARAB9A
SCHEMBL9337175 0.77 PKM (0.65) PKMTSHRMAPK1USP2ALOX15
SCHEMBL14384330 0.76 PKM (0.74) PKMTSHRMAPK1USP2ALOX15
Hydrochloric Acid SCHEMBL7489025 0.76 ALOX15 (0.51) PKMTSHRMAPK1USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed