SCHEMBL11293928

SCHEMBL11293928

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 4/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ APOBEC3G Q9HC16 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL11301378 0.81 POLB (0.48) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL11298505 0.79 HSD17B10 (0.42) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL11301366 0.78 POLB (0.41) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL11365205 0.78 POLB (0.38) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL11303911 0.77 MAPT (0.52) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL10589041 0.75 NPSR1 (0.49) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL29199339 0.72 POLB (0.39) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL11385640 0.71 MAPT (0.46) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL540557 0.69 MAPT (0.54) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL1014289 0.69 MAPT (0.54) KDM4EMAPTTDP1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55038335-A — — None — — JP disclosed
US-4342859-A Bis(aminophenylthioalkyl)terephthalate and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-03 — — US disclosed
JP-S5538335-A BIS(AMINOPHENYLTHIOALKYL)TEREPHTHALATE, AND HARDENER FOR POLYURETHANE ELASTOMER CONTAINING THE SAME IHARA CHEM IND CO LTD 1980-03-17 — — JP disclosed
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