SCHEMBL11359384

SCHEMBL11359384

Cc1cc(C2=CC(C)(C)C(N)C=C2)cc(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8657581 0.68
SCHEMBL1768713 0.68
SCHEMBL9669 0.63 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL1866504 0.63 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL9315415 0.62 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL4540248 0.61 ALDH1A1 (0.93) ALDH1A1CYP3A4TSHRTDP1TP53
Hydrochloric Acid SCHEMBL472235 0.61 ALDH1A1 (0.93) ALDH1A1CYP3A4TSHRTDP1TP53
Ammonia Solution, Strong SCHEMBL7696025 0.61 ALDH1A1 (0.93) ALDH1A1CYP3A4TSHRTDP1TP53
Hydrochloric Acid SCHEMBL4598240 0.61 ALDH1A1 (0.93) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL4540244 0.61 ALDH1A1 (0.93) ALDH1A1CYP3A4TSHRTDP1TP53

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-20200071775-A1 COMPOSITION FOR DETECTING POTATO VIRUS Y INCLUDING M13KO7 BACTERIOPHAGE AND KIT INCLUDING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2020-03-05 US disclosed
EP-0027236-A1 Ascorbate resistant composition, test device and method for detecting a component in a liquid test sample MILES LABORATORIES, INC. (US) 1981-04-22 EP disclosed