SCHEMBL9688318

SCHEMBL9688318

CNCCn1c(=O)ccc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
BRD4 O60885 1/20 0.53
BRPF1 P55201 1/20 0.53
CA9 Q16790 1/20 0.53
KAT2B Q92831 1/20 0.53
BRD9 Q9H8M2 1/20 0.53
KMT2A Q03164 5/20 0.46
TP53 P04637 3/20 0.43
TSHR P16473 2/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HTR6 P50406 1/20 0.40
MEN1 O00255 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 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
SCHEMBL1052103 0.81 CA12 (0.58) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29941844 0.81 CA12 (0.58) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6198418 0.78 ALDH1A1 (0.55) CA12BRD4BRPF1CA9KAT2B
SCHEMBL585623 0.77 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1807117 0.77 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3441071 0.77 CA12 (0.57) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29757375 0.77 CA12 (0.57) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3733975 0.77 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29941396 0.77 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL7128827 0.77 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B

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-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 US disclosed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 EP disclosed