SCHEMBL9658441

SCHEMBL9658441

Cc1cc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.49
▸ CYP3A4 P08684 5/20 0.49
▸ TDP1 Q9NUW8 5/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ PHLPP2 Q6ZVD8 1/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ S100B P04271 1/20 0.44
▸ APAF1 O14727 1/20 0.42
▸ ALDH1A1 P00352 10/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 2/20 0.35
▸ ADK P55263 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SKP2 Q13309 1/20 0.33

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
SCHEMBL30749457 0.84 CYP3A4 (0.54) TSHRCYP3A4TDP1MAPK1MAPT
SCHEMBL5166514 0.84 CYP3A4 (0.54) TSHRCYP3A4TDP1MAPK1MAPT
SCHEMBL109819 0.81 CYP3A4 (0.46) TSHRCYP3A4TDP1MAPK1MAPT
SCHEMBL31409207 0.81 ALDH1A1 (0.46) TSHRCYP3A4TDP1MAPK1L3MBTL1
SCHEMBL30602820 0.81 CYP3A4 (0.46) TSHRCYP3A4TDP1MAPK1MAPT
SCHEMBL13070208 0.81 ALDH1A1 (0.46) TSHRCYP3A4TDP1MAPK1L3MBTL1
SCHEMBL9658062 0.80 SLC2A1 (0.50) TSHRCYP3A4TDP1MAPK1L3MBTL1
SCHEMBL5010081 0.80 SLC2A1 (0.50) TSHRCYP3A4TDP1MAPK1L3MBTL1
SCHEMBL743578 0.79 CYP3A4 (0.45) TSHRCYP3A4TDP1MAPK1MAPT
SCHEMBL29278568 0.79 CYP3A4 (0.45) TSHRCYP3A4TDP1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130291-A HEAT-SENSITIVE RECORDING PAPER OSAKA SEALING PRINTING CO., LTD. (JP) 1992-07-14 — — US disclosed
EP-0058430-B1 DYESTUFF-CONTAINING MICROSCOPIC CAPSULE DISPERSION FOR RECORD MATERIALS MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-04 — — EP disclosed
US-4384871-A Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, INC. (JP) 1983-05-24 — — US disclosed
EP-0058430-A1 Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-08-25 — — EP disclosed
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