SCHEMBL8205896

SCHEMBL8205896

Oc1cc2ccccc2c(O)c1N=Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.60
MEN1 O00255 12/20 0.53
KMT2A Q03164 12/20 0.53
MAPT P10636 8/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
HSP90AA1 P07900 3/20 0.53
RECQL P46063 2/20 0.53
LMNA P02545 2/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
GAA P10253 1/20 0.53
ALPG P10696 1/20 0.53
CASP3 P42574 1/20 0.53
MMP14 P50281 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPK1 P28482 3/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL5968202 0.83 THRB (0.53) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL12994495 0.83 THRB (0.53) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL13340418 0.81 PRMT3 (0.51) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL12943030 0.80 PRMT3 (0.61) THRBMEN1KMT2AMAPTTDP1
SCHEMBL6666444 0.79 THRB (0.59) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL6666447 0.79 THRB (0.59) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL10781212 0.79 THRB (0.51) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL4665943 0.78 THRB (0.58) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL3183998 0.77 CASP6 (0.61) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL10294618 0.77 THRB (0.96) THRBMEN1KMT2AMAPTL3MBTL1

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
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed