SCHEMBL5632002

SCHEMBL5632002

O=S(=O)(C=Cc1ccccc1)Nc1cccc(OC2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
F10 P00742 12/20 0.44
GHSR Q92847 1/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
F2 P00734 4/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL5632000 1.00 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRF10GHSR
SCHEMBL5633181 0.92 F10 (0.48) ALDH1A1ALOX15TSHRF10F2
SCHEMBL5633179 0.92 F10 (0.48) ALDH1A1ALOX15TSHRF10F2
SCHEMBL5633167 0.89 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRF10GHSR
SCHEMBL5633166 0.89 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRF10GHSR
SCHEMBL7114331 0.80 F10 (0.51) ALDH1A1ALOX15TSHRF10LMNA
SCHEMBL7114329 0.80 F10 (0.51) ALDH1A1ALOX15TSHRF10LMNA
SCHEMBL5632729 0.78 F2 (0.55) ALDH1A1F10GHSRPKMKMT2A
SCHEMBL6580787 0.77 GHSR (0.48) F10GHSRF2
SCHEMBL5633359 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRF10GHSR

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