SCHEMBL11054929

SCHEMBL11054929

CC#CNCCCNC(=O)Nc1c(C)cccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
GFER P55789 1/20 0.52
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 5/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL11428483 0.81 LMNA (0.54) LMNAGFERPOLBMAPTALDH1A1
SCHEMBL11426270 0.78 LMNA (0.52) LMNAGFERPOLBMAPTALDH1A1
SCHEMBL29430936 0.78 LMNA (0.54) LMNAGFERPOLBMAPTALDH1A1
SCHEMBL11054954 0.78 LMNA (0.54) LMNAGFERPOLBMAPTALDH1A1
SCHEMBL11051654 0.78 LMNA (0.49) LMNAGFERPOLBMAPTALDH1A1
SCHEMBL11219143 0.77 LMNA (0.51) LMNAGFERPOLBMAPTALDH1A1
Recainam SCHEMBL636093 0.77 LMNA (0.51) LMNAGFERPOLBMAPTKMT2A
Recainam SCHEMBL123002 0.76 LMNA (0.50) LMNAGFERPOLBMAPTKMT2A
SCHEMBL11053671 0.75 EPHX1 (0.52) LMNAGFERPOLBMAPTALDH1A1
Recainam SCHEMBL8417555 0.75 LMNA (0.49) LMNAGFERPOLBMAPTKMT2A

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
US-4474707-A ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-10-02 US claimed
US-4297373-A CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-27 US claimed