SCHEMBL7217331

SCHEMBL7217331

COC(=O)c1ccc2[nH]c[c]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
PSMB8 P28062 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KIF11 P52732 2/20 0.44
GPR84 Q9NQS5 1/20 0.44
NPC1 O15118 2/20 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
SCHEMBL4243309 0.87 KIF11 (0.48) CREBBPCA1CA2CA12CA7
SCHEMBL9741709 0.83 HCRTR1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL5540470 0.71 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL28063129 0.70 KIF11 (0.70) CREBBPCA1CA2CA12CA7
SCHEMBL310518 0.70 ALDH1A1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL29377304 0.70 TUBB4A (0.58) NPC1RAB9AMAPT
SCHEMBL20504955 0.70 PSMB8 (0.51) CREBBPCA1CA2CA12CA7
SCHEMBL103794 0.70 TUBB4A (0.58) NPC1RAB9AMAPT
SCHEMBL4672838 0.70 CA1 (0.57) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL28263909 0.69 TUBB4A (0.57) NPC1RAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660751-B1 Sulfonamide derivatives as 5-HT7 receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2003-12-09 US disclosed
EP-0165588-B1 ANALYTICAL REAGENT, ANALYTICAL METHOD, AND MULTILAYER CHEMICAL-ANALYTICAL ELEMENT FUJI PHOTO FILM CO., LTD. (JP) 1990-05-02 EP disclosed
US-4721670-A Analytical reagent, analytical method, and multilayer chemical-analytical element FUJI PHOTO FILM CO., LTD. (JP) 1988-01-26 US disclosed
EP-0165588-A2 Analytical reagent, analytical method, and multilayer chemical-analytical element FUJI PHOTO FILM CO., LTD. (JP) 1985-12-27 EP disclosed