SCHEMBL10764009

SCHEMBL10764009

CN1CC(c2ccccc2Cl)CC1=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.67
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.53
HTR6 P50406 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SRD5A1 P18405 2/20 0.45
DPP4 P27487 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL11658969 0.81 BRD4 (0.57) BRD4SRD5A1PDE4APDE4BPDE4C
SCHEMBL6772965 0.80 BRD4 (0.68) BRD4ADRA1DADRA1AADRA1BSRD5A1
SCHEMBL6556310 0.75 BRD4 (1.00) BRD4SRD5A1PDE4APDE4BPDE4C
SCHEMBL15203831 0.75 BRD4 (1.00) BRD4SRD5A1PDE4APDE4BPDE4C
SCHEMBL8406210 0.75 BRD4 (1.00) BRD4SRD5A1PDE4APDE4BPDE4C
SCHEMBL24877638 0.74 TP53 (0.48) TP53RECQLHTR6ADRA1DADRA1A
SCHEMBL31444506 0.73 GSK3B (0.42) BRD4TP53RECQLSRD5A1DPP4
SCHEMBL11083189 0.73 ADRA1A (0.40) BRD4TP53RECQLHTR6ADRA1D
SCHEMBL427764 0.72 TP53 (0.85) TP53RECQLHTR6ADRA1DADRA1A
SCHEMBL2459716 0.72 BRD4 (0.57) BRD4ADRA1DADRA1AADRA1BSRD5A1

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-4699918-A ANTICOAGULANTS, ANTIARRHYTHMIA AGENTS LABORATOIRES JACQUES LOGEAIS (FR) 1987-10-13 US disclosed
US-4556674-A ANTICOAGULANTS, ANTIARRHYTHMIA AGENTS LABORATOIRES JACQUES LOGEAIS (FR) 1985-12-03 US disclosed