SCHEMBL9690276

SCHEMBL9690276

CNCCn1ccc2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.52
KDM4E B2RXH2 7/20 0.49
PSMB1 P20618 2/20 0.48
PSMB5 P28074 2/20 0.48
HTR6 P50406 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ACHE P22303 1/20 0.46
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
NLRP3 Q96P20 1/20 0.44
HTT P42858 3/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 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
SCHEMBL28525147 0.81 TNF (0.59) TNFKDM4EPSMB1PSMB5ACHE
SCHEMBL29809435 0.81 TNF (0.59) TNFKDM4EPSMB1PSMB5ACHE
SCHEMBL29809443 0.79 TNF (0.64) TNFKDM4EPSMB1PSMB5ACHE
SCHEMBL13046538 0.78 TNF (0.56) TNFKDM4EPSMB1PSMB5MAPT
SCHEMBL1238170 0.78 TNF (0.52) TNFKDM4EPSMB1PSMB5HTR6
SCHEMBL179072 0.78 TNF (0.55) TNFKDM4EPSMB1PSMB5MAPT
SCHEMBL29809320 0.78 TNF (0.55) TNFKDM4EPSMB1PSMB5MAPT
SCHEMBL4552574 0.77 TNF (0.63) TNFKDM4EPSMB1PSMB5ACHE
SCHEMBL28525351 0.76 TNF (0.61) TNFKDM4EACHEHTTTDP1
SCHEMBL2512199 0.76 CDK4 (0.68) MAPTALDH1A1KMT2AHTTMAPK1

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