SCHEMBL3676774

SCHEMBL3676774

NC(=O)[N]c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.66
HTR3B O95264 6/20 0.66
HTR3A P46098 6/20 0.66
HTR3D Q70Z44 6/20 0.66
HTR3C Q8WXA8 6/20 0.66
SLC22A2 O15244 1/20 0.66
SLC22A1 O15245 1/20 0.66
SLC22A3 O75751 1/20 0.66
PLAU P00749 1/20 0.66
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
THPO P40225 1/20 0.53
PARP1 P09874 1/20 0.52
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL10807881 0.82 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3779968 0.79 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9750167 0.78 NOS1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL28630854 0.78 HTR3E (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1490350 0.76 PARP1 (0.52) KMT2AMEN1PARP1MAPTALDH1A1
SCHEMBL1515207 0.76 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10740210 0.76 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Urea SCHEMBL29193198 0.75 PARP1 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4587367 0.74 CYP2C19 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10794558 0.73 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-4250319-A RIPENER FOR SUGARCANE W. R. GRACE & CO. (US) 1981-02-10 US claimed
EP-2167090-A2 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER University of Maryland, Baltimore (US) 2010-03-31 EP disclosed
WO-2008154402-A2 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-12-18 WO disclosed
US-3989505-A Use of polycyclic thiophene compounds as ripeners for sugarcane HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1976-11-02 US disclosed