SCHEMBL11054954

SCHEMBL11054954

Cc1cccc(C)c1NC(=O)NCCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
GFER P55789 1/20 0.54
POLB P06746 2/20 0.51
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2B P41595 1/20 0.50
PKM P14618 1/20 0.49
KMT2A Q03164 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL29430936 0.84 LMNA (0.54) LMNAGFERPOLBDRD2HTR2A
SCHEMBL11428483 0.84 LMNA (0.54) LMNAGFERPOLBDRD2HTR2A
SCHEMBL11426270 0.81 LMNA (0.52) LMNAGFERPOLBDRD2HTR2A
SCHEMBL11219143 0.80 LMNA (0.51) LMNAGFERPOLBDRD2KMT2A
SCHEMBL22454914 0.80 ALDH1A1 (0.54) LMNAGFERPOLBPKMKMT2A
Recainam SCHEMBL636093 0.80 LMNA (0.51) LMNAGFERPOLBDRD2HTR2A
SCHEMBL4904022 0.80 POLB (0.51) LMNAGFERPOLBDRD2HTR2A
Recainam SCHEMBL123002 0.79 LMNA (0.50) LMNAGFERPOLBDRD2HTR2A
SCHEMBL5470918 0.79 ITGB3 (0.69) LMNAGFERPOLBDRD2HTR2A
SCHEMBL11053671 0.78 EPHX1 (0.52) LMNAGFERPOLBDRD2HTR2A

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 disclosed
US-4297373-A CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-27 US disclosed