SCHEMBL19986170

SCHEMBL19986170

Cc1cc(-c2cccc(-c3ccccc3)c2)c2cccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
ABCG2 Q9UNQ0 10/20 0.40
BACE1 P56817 1/20 0.38
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL19986168 0.91 DHODH (0.51) DHODHABCG2BACE1CCR1CCR8
SCHEMBL19986169 0.91 DHODH (0.47) DHODHABCG2BACE1CCR1CCR8
SCHEMBL17704941 0.83 BACE1 (0.36) DHODHABCG2BACE1KMT2APIK3CD
SCHEMBL17704971 0.83 BACE1 (0.36) DHODHABCG2BACE1KMT2APIK3CD
SCHEMBL19986175 0.80 CYP1A2 (0.55) KMT2A
SCHEMBL17704961 0.78 NPY5R (0.41) DHODHABCG2BACE1KMT2A
SCHEMBL19986177 0.77 TOP1 (0.59) KMT2A
SCHEMBL12315322 0.76 CRHR1 (0.43)
SCHEMBL12440018 0.76 CYP2A6 (0.47) DHODHABCG2CCR1CCR8
SCHEMBL15973400 0.75 CRHR1 (0.43)

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed