SCHEMBL11301378

SCHEMBL11301378

CCC(Sc1ccccc1N)c1c(C(=O)O)ccc(C(=O)O)c1C(CC)Sc1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ HSD17B10 Q99714 3/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CASP3 P42574 1/20 0.36

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
SCHEMBL11293928 0.81 KDM4E (0.43) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL11297858 0.79 MEN1 (0.49) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL11298505 0.75 HSD17B10 (0.42) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL11301366 0.74 POLB (0.41) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL11365205 0.74 POLB (0.38) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL22361969 0.70 TDP1 (0.60) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL22361970 0.70 TDP1 (0.60) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL11297227 0.69 POLB (0.55) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL10589041 0.68 NPSR1 (0.49) POLBKDM4ETDP1MAPTNPSR1
SCHEMBL11099013 0.67 MAPT (0.60) POLBKDM4ETDP1MAPTNPSR1

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-4342859-A Bis(aminophenylthioalkyl)terephthalate and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-03 — — US disclosed
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