SCHEMBL9764387

SCHEMBL9764387

COCCOc1ccccc1NNc1ccccc1OCCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
ADRB2 P07550 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.41
JAK2 O60674 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL19001343 0.85 THRB (0.48) THRBTDP1MAPTPOLBADRB2
SCHEMBL18172021 0.85 THRB (0.44) THRBTDP1MAPTPOLBADRB2
SCHEMBL16146892 0.85 THRB (0.44) THRBTDP1MAPTPOLBADRB2
Hydrochloric Acid SCHEMBL18172006 0.83 THRB (0.43) THRBTDP1MAPTPOLBADRB2
SCHEMBL2974587 0.83 MAPT (0.56) TDP1MAPTADRB2HTTLMNA
SCHEMBL18997831 0.80 TDP1 (0.44) THRBTDP1MAPTPOLBADRB2
SCHEMBL10871089 0.80 CYP1A2 (0.58) MAPTPOLBHTTMEN1KMT2A
SCHEMBL9367834 0.78 THRB (0.46) THRBTDP1MAPTPOLBHTT
SCHEMBL4535349 0.78 TDP1 (0.51) THRBTDP1MAPTPOLBADRB2
SCHEMBL5349206 0.77 L3MBTL1 (0.61) TDP1MAPTPOLBADRB2KMT2A

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
US-4987258-A Intermediates for disazo dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed
EP-0196574-B1 4,4'-DIAMINODIPHENYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-10 EP disclosed
EP-0196574-A2 4,4'-Diaminodiphenyl compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-08 EP disclosed