SCHEMBL11242597

SCHEMBL11242597

NC(=O)C(N)c1ccc2occc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.43
CYP2A6 P11509 2/20 0.42
FFAR1 O14842 1/20 0.41
CTNNB1 P35222 6/20 0.41
WNT3A P56704 6/20 0.41
AR P10275 1/20 0.40
DYRK1A Q13627 3/20 0.39
CDK9 P50750 1/20 0.39
EPM2A O95278 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN6 P29350 1/20 0.39
CDC14A Q9UNH5 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PLAU P00749 1/20 0.39
KMO O15229 1/20 0.38
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL10631894 0.87 HSD17B10 (0.49) HTR1BCYP2A6FFAR1CTNNB1WNT3A
SCHEMBL13227110 0.79 HTR1B (0.39) HTR1BCYP2A6FFAR1CTNNB1WNT3A
SCHEMBL20023702 0.75 HTR1B (0.46) HTR1BCYP2A6FFAR1DYRK1ACDK9
SCHEMBL28459447 0.75 HTR1B (0.46) HTR1BCYP2A6FFAR1DYRK1ACDK9
SCHEMBL7524832 0.75 CTNNB1 (0.43) HTR1BCYP2A6FFAR1CTNNB1WNT3A
SCHEMBL31023860 0.74 CYP2A6 (0.46) HTR1BCYP2A6FFAR1CTNNB1WNT3A
SCHEMBL12087093 0.72 DYRK1A (0.41) HTR1BCYP2A6FFAR1CTNNB1WNT3A
SCHEMBL8120372 0.72 UGT2B7 (0.50) PLAU
SCHEMBL3441414 0.72 AR (0.61) HTR1BCYP2A6CTNNB1WNT3AAR
SCHEMBL31295594 0.72 UGT2B7 (0.50) HTR1BCYP2A6FFAR1CTNNB1WNT3A

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
US-4341792-A ANTIDIABETIC AND CARDIOTONIC AGENTS PFIZER INC. (US) 1982-07-27 US disclosed