SCHEMBL11204656

SCHEMBL11204656

COc1ccccc1NC(=O)C(I)C(C)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 3/20 0.54
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LPAR1 Q92633 1/20 0.52
ANPEP P15144 1/20 0.52
CASP6 P55212 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
SCHEMBL8930775 0.83 POLB (0.58) ALDH1A1KMT2ATSHRMEN1CYP1A2
SCHEMBL17319994 0.81 ALDH1A1 (0.59) ALDH1A1KMT2ATSHRMEN1CYP1A2
SCHEMBL13596172 0.80 POLB (0.62) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL16160052 0.80 POLB (0.56) ALDH1A1KMT2ATSHRMEN1CYP1A2
SCHEMBL4554983 0.79 POLB (0.77) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL31040567 0.79 POLB (0.77) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6348301 0.79 POLB (0.61) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL12125175 0.78 KMT2A (0.76) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL171580 0.78 KMT2A (0.70) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL30356246 0.78 KMT2A (0.70) ALDH1A1KMT2AMEN1POLBMAPT

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
EP-0070521-A1 Process for improving the technical application properties of disazo pigments HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-26 EP disclosed