SCHEMBL9315415

SCHEMBL9315415

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3648196 0.69
Hydrochloric Acid SCHEMBL31195963 0.67
SCHEMBL7569812 0.65
SCHEMBL1866504 0.62 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL9669 0.62 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL11359384 0.62 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL472235 0.60 ALDH1A1 (0.93) ALDH1A1TP53CYP3A4TSHRTDP1
Ammonia Solution, Strong SCHEMBL16970867 0.60 ALDH1A1 (0.93) ALDH1A1TP53CYP3A4TSHRTDP1
Water SCHEMBL10536100 0.60 ALDH1A1 (0.93) ALDH1A1TP53CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL4598240 0.60 ALDH1A1 (0.93) ALDH1A1TP53CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115598350-A Application of reagent for detecting Prdx1 protein in preparation of early diagnosis/prognosis product of acute organ injury or sepsis 中南大学湘雅医院(CN) 2023-01-13 CN claimed
CN-115598350-A Application of reagent for detecting Prdx1 protein in preparation of early diagnosis/prognosis product of acute organ injury or sepsis 中南大学湘雅医院(CN) 2023-01-13 CN disclosed
US-5358851-A Polyclonal antibody from immunizing an animal with immunogenic carrier protein conjugated to p-tolylacetic acid, then binding product to the aromatic ring of benzene or naphthalene derivatives for detection QUANTIX SYSTEMS, L.P. (US) 1994-10-25 US disclosed
EP-0321546-A1 IMMUNOASSAY FOR AROMATIC RING CONTAINING COMPOUNDS PECK, Dana P. (US) 1989-06-28 EP disclosed
WO-1988009798-A1 IMMUNOASSAY FOR AROMATIC RING CONTAINING COMPOUNDS PECK DANA P (US) 1988-12-15 WO disclosed