SCHEMBL5022997

SCHEMBL5022997

COc1ccc(Oc2c(I)cc(C(C)=O)cc2I)cc1N.COc1ccc(Oc2c(I)cc(CC=O)cc2I)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.39
PCNA P12004 7/20 0.39
LMNA P02545 6/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
THRA P10827 5/20 0.39
ABCB11 O95342 2/20 0.39
GABRA1 P14867 2/20 0.39
PPARG P37231 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
F2 P00734 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL4422901 0.91 THRB (0.46) THRBPCNALMNAMEN1KMT2A
SCHEMBL4435036 0.90 LMNA (0.48) THRBPCNALMNAMEN1KMT2A
SCHEMBL4426971 0.90 LMNA (0.48) THRBPCNALMNAMEN1KMT2A
SCHEMBL5016597 0.81 ALDH1A1 (0.46) THRBPCNAMEN1KMT2ANPSR1
SCHEMBL4435044 0.80 ALDH1A1 (0.47) THRBLMNAMEN1KMT2ANPSR1
SCHEMBL5024604 0.79 TUBB4A (0.50) THRBPCNALMNAMEN1KMT2A
SCHEMBL5023003 0.78 PCNA (0.45) THRBPCNALMNAMEN1KMT2A
SCHEMBL14277457 0.76 THRB (0.41) THRBPCNALMNAMEN1KMT2A
SCHEMBL4422896 0.76 TUBB4A (0.52) THRBPCNALMNAMEN1KMT2A
SCHEMBL5014840 0.74 PCNA (0.44) THRBPCNALMNATHRAABCB11

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-2008030892-A2 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed