SCHEMBL9647484

SCHEMBL9647484

CCNCC(O)c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.49
LMNA P02545 1/20 0.49
GALR3 O60755 1/20 0.49
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
F2R P25116 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP2A6 P11509 1/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1A P08908 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NMUR2 Q9GZQ4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ADRB2 P07550 2/20 0.39

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
SCHEMBL3944328 0.82 KDM4E (0.61) HIF1ALMNAKDM4EKMT2AF2R
SCHEMBL6680502 0.81 HIF1A (0.63) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL2249403 0.80 LMNA (0.54) LMNAKDM4EL3MBTL1F2RCYP19A1
SCHEMBL18245963 0.80 LMNA (0.54) LMNAKDM4EL3MBTL1F2RCYP19A1
SCHEMBL6457448 0.78 HIF1A (0.66) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL3944322 0.78 F2R (0.41) HIF1AKDM4EL3MBTL1KMT2AF2R
SCHEMBL2297898 0.77 HIF1A (0.53) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL2294187 0.77 HIF1A (0.53) HIF1ALMNAGALR3KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL6458419 0.77 HIF1A (0.63) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL2291082 0.77 HIF1A (0.53) HIF1ALMNAGALR3KDM4EL3MBTL1

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
EP-0322389-B1 NOVEL ANTIARRHYTHMIC AGENTS II Aktiebolaget Hässle (SE) 1992-10-28 EP disclosed
US-5034411-A Cardiovascular disorders or antiarrhythmia agents AKTIEBOLAGET HASSLE (SE) 1991-07-23 US disclosed
WO-1989005795-A1 NOVEL ANTIARRHYTHMIC AGENTS II Aktiebolaget Hässle (SE) 1989-06-29 WO disclosed
EP-0322389-A2 Novel antiarrhythmic agents II Aktiebolaget Hässle (SE) 1989-06-28 EP disclosed