SCHEMBL8626259

SCHEMBL8626259

COc1cc(C(=O)c2cccc(N)c2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.58
MITF O75030 1/20 0.58
POLB P06746 1/20 0.58
PBRM1 Q86U86 1/20 0.57
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54

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
SCHEMBL8625272 0.92 ALDH1A1 (0.64) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL4825052 0.89 CYP1A2 (0.71) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL436813 0.88 ALDH1A1 (0.72) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL8626011 0.88 ALDH1A1 (0.78) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL4610035 0.87 CYP1A2 (0.62) ALDH1A1LMNAHTTL3MBTL1PBRM1
SCHEMBL8622568 0.87 ALDH1A1 (0.70) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL8626158 0.85 ALDH1A1 (0.64) ALDH1A1LMNAHTTL3MBTL1CYP1A2
Orthotolidine SCHEMBL5069476 0.85 LMNA (0.52) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL9645087 0.84 TUBB4A (0.66) PBRM1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL9717947 0.83 TUBB4A (0.64) PBRM1TUBB4ATUBBTUBA3CTUBA1B

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-5710334-A PENDANT ETHER GROUPS, POLYIMIDES WITH IMPROVED SOLUBILITY, MELT FLOW STABILITY, PROCESSABILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-20 US disclosed
US-5480965-A BASED ON A NOVEL DIAMINO COMPOUND DERIVED FROM BENZOPHENONE STRUCTURE; FIBER REINFORCEMENT MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0639621-A2 Polyimide-based resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-02-22 EP disclosed