SCHEMBL19986179

SCHEMBL19986179

Cc1cc(-c2ccc(-c3ccccc3)cc2)c2ncccc2n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.67
PRMT5 O14744 1/20 0.44
DHODH Q02127 2/20 0.43
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCF1 P14598 1/20 0.40
MMP9 P14780 1/20 0.39

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
SCHEMBL19986174 0.97 TOP1 (0.71) TOP1PRMT5DHODHCYP1A2KDM4E
SCHEMBL19986177 0.91 TOP1 (0.59) TOP1PRMT5CYP1A2
SCHEMBL19844332 0.82 TOP1 (0.82) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL18020161 0.80 TOP1 (1.00) TOP1DHODHHSD17B10
SCHEMBL18731749 0.78 CYP1A2 (0.58) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18538846 0.76 TOP1 (0.46) TOP1CYP1A2KDM4EALDH1A1HPGD
SCHEMBL19986168 0.75 DHODH (0.51) TOP1DHODHCYP1A2KDM4EALDH1A1
SCHEMBL1104820 0.74 CYP1A2 (0.62) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8284604 0.74 PRMT5 (0.68) TOP1PRMT5CYP1A2KDM4EALDH1A1
SCHEMBL21511856 0.74 CCR1 (0.51) TOP1KDM4EALDH1A1HPGDHSD17B10

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