SCHEMBL6200528

SCHEMBL6200528

CCN1CCN(S(=O)(=O)c2cnc(OC)c(C(=O)O)c2)CC1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.83
ALDH1A1 P00352 2/20 0.53
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.47
PDE5A O76074 6/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 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
SCHEMBL3587341 0.91 KMT2A (1.00) KMT2AALDH1A1CYP2D6PDE5APKM
SCHEMBL6441707 0.91 KMT2A (1.00) KMT2AALDH1A1CYP2D6PDE5APKM
Hydrochloric Acid SCHEMBL6386723 0.90 KMT2A (0.98) KMT2AALDH1A1CYP2D6PDE5APKM
Hydrochloric Acid SCHEMBL6442412 0.90 KMT2A (0.98) KMT2AALDH1A1CYP2D6PDE5APKM
SCHEMBL6441696 0.90 KMT2A (0.98) KMT2AALDH1A1CYP2D6PDE5APKM
SCHEMBL6444417 0.89 KMT2A (0.83) KMT2AALDH1A1CYP2D6PDE5APKM
Hydrochloric Acid SCHEMBL6446785 0.88 KMT2A (0.78) KMT2AALDH1A1CYP2D6PDE5APKM
Hydrochloric Acid SCHEMBL6447417 0.87 KMT2A (0.77) KMT2AALDH1A1CYP2D6PDE5APKM
Hydrochloric Acid SCHEMBL7388188 0.87 KMT2A (0.92) KMT2AALDH1A1CYP2D6PDE5APKM
SCHEMBL6444662 0.86 KMT2A (0.72) KMT2AALDH1A1CYP2D6PDE5APKM

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
EP-1092720-B1 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof PFIZER LTD (GB) 2005-01-12 EP disclosed
EP-1092720-A2 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof Pfizer Limited (GB) 2001-04-18 EP disclosed