SCHEMBL21940413

SCHEMBL21940413

COc1ccc(/C=C\c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A1 P04798 9/20 0.51
CYP1B1 Q16678 8/20 0.51
CYP1A2 P05177 3/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51

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
SCHEMBL29363338 1.00 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL151091 1.00 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL151090 1.00 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL29417481 1.00 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL12595133 0.92 MAPT (0.48) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL17447096 0.92 MAPT (0.48) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL28106861 0.92 MAPT (0.47) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL990313 0.90 TUBB1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL990314 0.90 TUBB1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1
SCHEMBL989615 0.90 TUBB1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020066851-A1 ACRYLIC COATING COMPOSITION CONTAINING INORGANIC OXIDE PARTICLES 日産化学株式会社 2020-04-02 WO disclosed