SCHEMBL13091065

SCHEMBL13091065

Cc1ccc2c(c1)N(C(C)C)C(=O)C(C)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
ALDH1A1 P00352 5/20 0.49
CYP2C19 P33261 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP3A4 P08684 3/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL21483647 0.84 PDE3B (0.53) TSHRNPSR1PDE3BPDE3AALDH1A1
SCHEMBL7349339 0.81 PDE3B (0.49) TSHRPDE3BPDE3AALDH1A1MEN1
SCHEMBL10130351 0.80 TSHR (0.58) TSHRNPSR1PDE3BPDE3AALDH1A1
SCHEMBL10130347 0.80 TSHR (0.58) TSHRNPSR1PDE3BPDE3AALDH1A1
SCHEMBL10129864 0.80 TSHR (0.58) TSHRNPSR1PDE3BPDE3AALDH1A1
SCHEMBL13091164 0.76 TSHR (0.69) TSHRNPSR1ALDH1A1CYP2C19CYP1A2
SCHEMBL29348226 0.75 PDE3B (0.47) TSHRNPSR1PDE3BPDE3AALDH1A1
SCHEMBL29348279 0.75 PDE3B (0.47) TSHRNPSR1PDE3BPDE3AALDH1A1
SCHEMBL13091216 0.74 TSHR (0.66) TSHRNPSR1ALDH1A1CYP2C19CYP1A2
SCHEMBL7348345 0.73 PDE3B (0.44) TSHRNPSR1PDE3BPDE3AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO disclosed