SCHEMBL28006249

SCHEMBL28006249

O=CNc1ccc2ccc3ccc(NC=O)nc3c2n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.44
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33
XPO1 O14980 1/20 0.30

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
SCHEMBL9311297 0.81 KMT2A (0.53) ALDH1A1RAB9A
SCHEMBL18891533 0.75 ALDH1A1 (0.44) ALDH1A1RAB9A
SCHEMBL213933 0.74 NCF1 (0.59) RAB9A
Hydrochloric Acid SCHEMBL27836524 0.73 NCF1 (0.57) RAB9A
Hydrochloric Acid SCHEMBL27836536 0.73 NCF1 (0.57) RAB9A
SCHEMBL21961537 0.73 APP (0.42) ALDH1A1
SCHEMBL3427301 0.70 ROCK2 (0.43)
SCHEMBL28846743 0.69 BACE1 (0.49) RAB9A
SCHEMBL5632656 0.69 ALDH1A1 (0.34) ALDH1A1XPO1
SCHEMBL15626076 0.67 SYK (0.37) ALDH1A1RAB9A

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
CN-104447540-A Synthetic method of primary aryl amide compounds UNIV HUNAN 2015-03-25 CN disclosed