SCHEMBL11224454

SCHEMBL11224454

CCCCCCCCCCCCCNC(=O)/C(=C/c1ccccc1N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.55
▸ EGFR P00533 1/20 0.46
▸ EPHX1 P07099 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ZDHHC2 Q9UIJ5 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ALOX15 P16050 2/20 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
SCHEMBL11220069 0.82 NAAA (0.55) NAAAEGFREPHX1ALDH1A1HTT
SCHEMBL11218890 0.82 NAAA (0.55) NAAAEGFREPHX1ALDH1A1HTT
SCHEMBL11218806 0.82 NAAA (0.55) NAAAEGFREPHX1ALDH1A1HTT
SCHEMBL11222408 0.82 NAAA (0.55) NAAAEGFREPHX1ALDH1A1HTT
SCHEMBL11224412 0.82 NAAA (0.55) NAAAEGFREPHX1ALDH1A1HTT
SCHEMBL11232508 0.81 KMT2A (0.70) NAAAEGFREPHX1ALDH1A1HTT
SCHEMBL11224571 0.80 NAAA (0.51) NAAAEGFREPHX1ALDH1A1HTT
SCHEMBL11224100 0.78 NAAA (0.47) NAAAEPHX1ALDH1A1HTTLMNA
SCHEMBL11234894 0.78 LMNA (0.47) ALDH1A1HTTMEN1LMNAHPGD
SCHEMBL11234890 0.78 LMNA (0.47) ALDH1A1HTTMEN1LMNAHPGD

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
US-4342781-A PREVENTING AND TREATING ALLERGIC BRONCHIAL ASTHMA, RHINITIS AND SKIN DISORDERS PFIZER INC. (US) 1982-08-03 — — US disclosed
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