SCHEMBL5633166

SCHEMBL5633166

O=S(=O)(/C=C/c1ccccc1)Nc1ccc(OC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TSHR P16473 2/20 0.57
ALOX15 P16050 1/20 0.57
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 3/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
GHSR Q92847 1/20 0.41
F10 P00742 2/20 0.40
POLB P06746 2/20 0.40
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL5633167 1.00 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAKMT2A
SCHEMBL7114329 0.90 F10 (0.51) ALDH1A1TSHRALOX15LMNANAMPT
SCHEMBL7114331 0.90 F10 (0.51) ALDH1A1TSHRALOX15LMNANAMPT
SCHEMBL5632002 0.89 ALDH1A1 (0.49) ALDH1A1TSHRALOX15LMNAKMT2A
SCHEMBL5632000 0.89 ALDH1A1 (0.49) ALDH1A1TSHRALOX15LMNAKMT2A
SCHEMBL5633362 0.85 ALDH1A1 (0.54) ALDH1A1TSHRALOX15LMNAKMT2A
SCHEMBL5633359 0.85 ALDH1A1 (0.54) ALDH1A1TSHRALOX15LMNAKMT2A
SCHEMBL5633179 0.81 F10 (0.48) ALDH1A1TSHRALOX15F10
SCHEMBL5633181 0.81 F10 (0.48) ALDH1A1TSHRALOX15F10
SCHEMBL9760149 0.80 IDO1 (0.45) TSHRNAMPTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US claimed
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US disclosed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed