SCHEMBL5633359

SCHEMBL5633359

O=S(=O)(/C=C/c1ccccc1)Nc1ccc(OCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 3/20 0.48
F10 P00742 6/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ADRB1 P08588 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GHSR Q92847 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
POLB P06746 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
SCHEMBL5633362 1.00 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRLMNAF10
SCHEMBL7113715 0.91 F10 (0.55) ALDH1A1ALOX15TSHRF10HRH2
SCHEMBL7113722 0.91 F10 (0.55) ALDH1A1ALOX15TSHRF10HRH2
SCHEMBL5633166 0.85 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRLMNAF10
SCHEMBL5633167 0.85 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRLMNAF10
SCHEMBL9759900 0.81 ADRB1 (0.52) F10HRH2HRH1HRH3ADRB1
SCHEMBL5632390 0.80 ALDH1A1 (0.45) ALDH1A1LMNAF10KMT2AHRH2
SCHEMBL9761013 0.79 F10 (0.47) F10HRH2HRH1HRH3ADRB1
SCHEMBL5631650 0.77 ALDH1A1 (0.56) ALDH1A1LMNAF10KMT2AHRH1
SCHEMBL5632002 0.77 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRLMNAF10

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 2 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