SCHEMBL10729809

SCHEMBL10729809

O=C(NC(=O)c1ccccc1Cl)Nc1ccc(C#Cc2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ GCGR P47871 1/20 0.45
▸ PLCG2 P16885 1/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ PCTP Q9UKL6 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMO Q99835 2/20 0.43
▸ JAK2 O60674 1/20 0.43

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
SCHEMBL10843847 0.84 GCGR (0.60) TDP1GCGRPLCG2RAB9ANPC1
SCHEMBL10842261 0.79 TDP1 (0.61) TDP1GCGRPLCG2RAB9ANPC1
Chlorbenzuron SCHEMBL5177776 0.76 GCGR (0.68) TDP1GCGRPLCG2RAB9ANPC1
SCHEMBL11236412 0.76 TDP1 (0.57) TDP1GCGRPLCG2RAB9ANPC1
SCHEMBL11233049 0.73 TDP1 (0.64) TDP1GCGRPLCG2RAB9ANPC1
SCHEMBL11138747 0.73 TDP1 (0.67) TDP1GCGRPLCG2RAB9ANPC1
SCHEMBL10704913 0.73 TDP1 (0.64) TDP1GCGRPLCG2RAB9ANPC1
SCHEMBL11235213 0.73 PCTP (0.50) TDP1GCGRPLCG2RAB9ANPC1
Chlotrifmeuron SCHEMBL10868747 0.73 TDP1 (0.70) TDP1GCGRPLCG2RAB9ANPC1
SCHEMBL10705754 0.72 GCGR (0.64) TDP1GCGRPLCG2RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62238280-A — — None — — JP disclosed
JP-S62238280-A BENZOYLUREA BASED INSECTICIDE AGURO KANESHO KK 1987-10-19 — — JP disclosed
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