SCHEMBL11655806

SCHEMBL11655806

CCOc1ccc(NN(CCO)c2cccc(C)c2)cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.40
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ALPL P05186 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ MEN1 O00255 6/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GPX4 P36969 1/20 0.34

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
SCHEMBL11653494 0.90 HTT (0.40) KMT2AMAPTLMNAALPLMAPK1
SCHEMBL11658968 0.79 P2RX4 (0.45) KMT2AMAPTLMNACTDSP1MEN1
SCHEMBL11659920 0.77 HSD17B10 (0.45) KMT2AMAPTLMNAMEN1SMN1; SMN2
SCHEMBL11652098 0.75 P2RX4 (0.40) KMT2AMAPTLMNACTDSP1MEN1
SCHEMBL11654753 0.73 LMNA (0.42) KMT2AMAPTLMNACTDSP1MEN1
SCHEMBL11656023 0.71 ALDH1A1 (0.36) KMT2AMAPTLMNAMAPK1MEN1
SCHEMBL11655801 0.70 HSD17B10 (0.49) KMT2AMAPTLMNAALPLMAPK1
SCHEMBL11653867 0.70 HSD17B10 (0.44) KMT2AMAPTLMNAMEN1SMN1; SMN2
SCHEMBL11658806 0.68 KMT2A (0.43) KMT2AMAPTLMNAMEN1SMN1; SMN2
SCHEMBL11655876 0.67 HSD17B10 (0.46) KMT2AMEN1TSHRHTTALDH1A1

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-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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