SCHEMBL8642547

SCHEMBL8642547

CCC(C)c1ccccc1N=[N]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ PKM P14618 1/20 0.31

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
SCHEMBL11416333 0.78 TSHR (0.57) TSHRKDM4EL3MBTL1NOS3NOS1
SCHEMBL994607 0.78 TSHR (0.73) TSHRKDM4EL3MBTL1HTTGABRA1
SCHEMBL1900065 0.77 TSHR (0.55) TSHRKDM4EL3MBTL1NOS3NOS1
SCHEMBL27964702 0.77 TSHR (0.55) TSHRKDM4EL3MBTL1NOS3NOS1
SCHEMBL6226870 0.76 TSHR (0.53) TSHRKDM4EL3MBTL1NOS3NOS1
SCHEMBL3836353 0.76 TSHR (0.53) TSHRKDM4EL3MBTL1NOS3NOS1
SCHEMBL20751701 0.74 TSHR (0.56) TSHRKDM4EL3MBTL1NOS3NOS1
SCHEMBL20721726 0.74 TSHR (1.00) TSHRKDM4EL3MBTL1HTTGABRA1
SCHEMBL282162 0.74 TSHR (1.00) TSHRKDM4EL3MBTL1HTTGABRA1
SCHEMBL15485172 0.74 TSHR (1.00) TSHRKDM4EL3MBTL1HTTGABRA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558964-B1 Colored smoking oil ORIENT CHEMICAL IND (JP) 1998-10-07 — — EP claimed
EP-0558964-A1 Colored smoking oil ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-08 — — EP claimed
JP-5221768-A — — None — — JP disclosed
EP-0558964-B1 Colored smoking oil ORIENT CHEMICAL IND (JP) 1998-10-07 — — EP disclosed
EP-0573809-B1 Liquid azo dye and ink composition containing the same ORIENT CHEMICAL IND (JP) 1998-08-19 — — EP disclosed
US-5366543-A Disazo dye salt ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-22 — — US disclosed
US-5326866-A Liquid azo dye and ink composition containing the same ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-05 — — US disclosed
EP-0573809-A1 Liquid azo dye and ink composition containing the same ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-15 — — EP disclosed
EP-0558964-A1 Colored smoking oil ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-08 — — EP disclosed
EP-0558964-A1 Colored smoking oil ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-08 — — EP disclosed
JP-H05221768-A COLORED FUMING OIL ORIENT CHEM IND LTD 1993-08-31 — — JP disclosed
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