SCHEMBL8994032

SCHEMBL8994032

CC(C)O[Ti](Oc1ccc(N)cc1)(Oc1ccc(N)cc1)Oc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TEAD4 Q15561 1/20 0.39
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAOA P21397 2/20 0.35
APP P05067 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NR4A1 P22736 1/20 0.35
MAOB P27338 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
GAA P10253 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
SCHEMBL9474171 0.78 CA4 (0.39) ALDH1A1TSHRPOLBMAOAMEN1
SCHEMBL17607338 0.74 CA4 (0.39) ALDH1A1TSHRPOLBMAOAMEN1
SCHEMBL5563 0.70 PARP10 (0.54) TDP1MAPK1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL4963793 0.69 TDP1 (0.54) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL9144439 0.67 ALDH1A1 (0.67) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL3817885 0.67 CYP2A6 (0.48) TDP1MAPK1NPC1RAB9AGAA
SCHEMBL2881391 0.66 TDP1 (0.52) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL38655995 0.66 TDP1 (0.52) TDP1MAPK1ALDH1A1CYP3A4TSHR
Isobutane SCHEMBL7862251 0.66 TDP1 (0.84) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL308671 0.65 ALDH1A1 (0.64) TDP1MAPK1ALDH1A1CYP3A4TSHR

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-5510219-A Toner for electrostatic-image development and process for producing the same FUJI XEROX CO., LTD. (JP) 1996-04-23 US claimed
US-5510219-A Toner for electrostatic-image development and process for producing the same FUJI XEROX CO., LTD. (JP) 1996-04-23 US disclosed