SCHEMBL11053671

SCHEMBL11053671

Cc1cccc(C)c1NC(=O)NCCCNC1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
LMNA P02545 3/20 0.52
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
CXCR4 P61073 1/20 0.46
POLB P06746 2/20 0.46
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 4/20 0.43
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

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) EPHX1LMNAGFERSMN1; SMN2POLB
SCHEMBL11426270 0.78 LMNA (0.52) EPHX1LMNAGFERPOLBALDH1A1
SCHEMBL11054954 0.78 LMNA (0.54) EPHX1LMNAGFERSMN1; SMN2POLB
SCHEMBL29430936 0.78 LMNA (0.54) EPHX1LMNAGFERSMN1; SMN2POLB
SCHEMBL11219143 0.77 LMNA (0.51) EPHX1LMNAGFERPOLBALDH1A1
Recainam SCHEMBL636093 0.77 LMNA (0.51) EPHX1LMNAGFERSMN1; SMN2POLB
Recainam SCHEMBL123002 0.76 LMNA (0.50) EPHX1LMNAGFERSMN1; SMN2POLB
SCHEMBL11061299 0.75 LMNA (0.49) EPHX1LMNAGFERSMN1; SMN2POLB
Recainam SCHEMBL8417555 0.75 LMNA (0.49) EPHX1LMNAGFERSMN1; SMN2POLB
SCHEMBL11054929 0.75 LMNA (0.52) EPHX1LMNAGFERSMN1; SMN2POLB

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 3 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
US-4474707-A ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-10-02 US disclosed