SCHEMBL27643281

SCHEMBL27643281

O=S(=O)(c1cccnc1)N(Cc1ccccc1)Cc1ccc(Cc2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.57
PTGER2 P43116 13/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNA5 P22460 1/20 0.48

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
SCHEMBL5050295 0.89 CA12 (0.54) CXCR3PTGER2CA12CA1CA2
SCHEMBL27643325 0.79 PDE4A (0.56) PTGER2CA12CA1CA2CA4
Water SCHEMBL27643271 0.77 CNR2 (0.63) PTGER2CA12CA1CA2CA4
SCHEMBL6123285 0.77 PDE4A (0.64) PTGER2KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL28773435 0.73 TAS2R14 (0.61) CXCR3PTGER2CA12CA1CA2
SCHEMBL29910182 0.73 TAS2R14 (0.61) CXCR3PTGER2CA12CA1CA2
SCHEMBL18725086 0.73 PTGER2 (0.89) PTGER2
SCHEMBL29642739 0.72 ALDH1A1 (0.62) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL27643293 0.71 CYP2A6 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5048023 0.71 CA12 (0.64) 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