SCHEMBL11235155

SCHEMBL11235155

COc1ccc(COc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 4/20 0.54
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
GCGR P47871 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PYGL P06737 1/20 0.51
PABPC1 P11940 1/20 0.51
GHSR Q92847 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL11236585 0.91 TDP1 (0.58) RAB9AALDH1A1TDP1NPC1POLB
SCHEMBL11385942 0.91 GCGR (0.62) RAB9AALDH1A1TDP1NPC1POLB
SCHEMBL11243370 0.91 GCGR (0.62) RAB9AALDH1A1TDP1NPC1POLB
SCHEMBL11385899 0.91 TDP1 (0.60) RAB9AALDH1A1TDP1NPC1POLB
SCHEMBL11250867 0.91 TDP1 (0.63) RAB9AALDH1A1TDP1NPC1GCGR
SCHEMBL10390737 0.89 RAB9A (0.76) RAB9AALDH1A1TDP1NPC1POLB
SCHEMBL11242279 0.89 TDP1 (0.61) RAB9AALDH1A1TDP1NPC1POLB
SCHEMBL11228921 0.87 TDP1 (0.56) RAB9AALDH1A1TDP1NPC1POLB
SCHEMBL11248869 0.86 TDP1 (0.64) RAB9AALDH1A1TDP1NPC1GCGR
SCHEMBL11241126 0.86 TDP1 (0.81) RAB9AALDH1A1TDP1NPC1POLB

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-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 US disclosed