SCHEMBL8021802

SCHEMBL8021802

CC[n+]1c(C)oc2ccc3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ HNF4A P41235 1/20 0.37

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
Perchlorate SCHEMBL7250930 0.94 KDM4E (0.41) KDM4ERAB9ATDP1KMT2AMAPT
Iodide SCHEMBL5892501 0.81 KDM4E (0.43) KDM4ERAB9ATDP1KMT2AMAPT
SCHEMBL7254059 0.76 KDM4E (0.53) KDM4ERAB9ATDP1KMT2AMAPT
SCHEMBL25672214 0.73 CYP2A6 (0.39) KDM4ERAB9ATDP1KMT2AMEN1
SCHEMBL8385263 0.70 KDM4E (0.50) KDM4ERAB9ATDP1KMT2AMAPT
SCHEMBL4626775 0.70 — —
SCHEMBL1046351 0.68 MEN1 (0.48) KDM4ERAB9ATDP1KMT2AMAPT
SCHEMBL4830357 0.68 KDM4E (0.55) KDM4ERAB9ATDP1KMT2AMAPT
Iodide SCHEMBL1776694 0.67 MEN1 (0.50) KDM4ERAB9ATDP1KMT2AMAPT
Hydrochloric Acid SCHEMBL1824918 0.67 MEN1 (0.47) KDM4ERAB9AKMT2AMAPTNPC1

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
EP-1056434-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 — — EP disclosed
WO-2000038639-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 — — WO disclosed
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