SCHEMBL13627445

SCHEMBL13627445

CCOC(=O)c1cc(I)[nH]c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 5/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3692361 0.83 KDM4E (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2199077 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3061979 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7997890 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28411840 0.74 GCGR (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7500235 0.73 LMNA (0.54) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7471868 0.72 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL12509797 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3979153 0.72 GCGR (0.65) ALDH1A1KMT2AMEN1HSD17B10HPGD
SCHEMBL6268999 0.72 MEN1 (0.51) ALDH1A1KMT2AMEN1MAPTLMNA

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-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed