SCHEMBL7568952

SCHEMBL7568952

CC[n+]1ccccc1C=Cc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MEN1 O00255 4/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
STAT3 P40763 1/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KDM4E B2RXH2 1/20 0.50
KDM4A O75164 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
POLB P06746 2/20 0.47
ACHE P22303 2/20 0.47
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
GFER P55789 1/20 0.46
GAA P10253 1/20 0.42
NFE2L2 Q16236 1/20 0.40
APP P05067 3/20 0.40

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
Iodide SCHEMBL6859861 0.98 KMT2A (0.69) KMT2AMEN1RAB9ANPC1ALDH1A1
Iodide SCHEMBL6559819 0.98 KMT2A (0.69) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL29620208 0.84 RAB9A (0.67) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL1898847 0.84 RAB9A (0.67) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL9588524 0.84 RAB9A (0.67) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL12657103 0.84 RAB9A (0.67) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL12657240 0.81 MEN1 (0.63) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL3870022 0.81 MEN1 (0.97) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL3385183 0.81 MEN1 (0.97) KMT2AMEN1RAB9ANPC1ALDH1A1
Iodide SCHEMBL285058 0.80 MEN1 (1.00) KMT2AMEN1RAB9ANPC1ALDH1A1

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-1235549-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 EP claimed
WO-2001034106-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed