SCHEMBL27643293

SCHEMBL27643293

O=S(=O)(c1cccnc1)N(Cc1ccccc1)Cc1ccc(-c2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.51
PTGER2 P43116 11/20 0.50
CYP2C19 P33261 2/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA9 Q16790 2/20 0.45
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5046795 0.88 PTGER2 (0.49) CYP2A6PTGER2CA12CA1CA2
SCHEMBL6123285 0.76 PDE4A (0.64) PTGER2PDE4APDE4BPDE4CPDE4D
Water SCHEMBL27643271 0.74 CNR2 (0.63) PTGER2PDE4APDE4BPDE4CPDE4D
SCHEMBL13087865 0.73 ALOX5 (0.52) CYP2A6CYP2C19ALDH1A1TDP1CYP2E1
SCHEMBL27643325 0.73 PDE4A (0.56) PTGER2PDE4APDE4BPDE4CPDE4D
SCHEMBL27643281 0.71 CXCR3 (0.57) PTGER2PDE4APDE4BPDE4CPDE4D
SCHEMBL29642739 0.71 ALDH1A1 (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4943463 0.70 PTGER2 (0.69) PTGER2CA12CA1CA2CA4
SCHEMBL18190156 0.70 PDE4A (0.55) PTGER2PDE4APDE4BPDE4CPDE4D
SCHEMBL27614342 0.70 PTGER2 (0.56) PTGER2CA12CA1CA2CA4

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
CN-1859903-A Use of EP2 selective receptor agonists in medical treatment PFIZER PROD INC (US) 2006-11-08 CN disclosed