SCHEMBL28060862

SCHEMBL28060862

COc1ccccc1-c1ccoc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.57
ACHE P22303 1/20 0.53
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
USP2 O75604 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL2751742 0.84 TUBB4A (0.49) FYNACHEALDH1A1MEN1USP2
SCHEMBL1133134 0.78 F2 (0.49) FYNACHEALDH1A1MEN1USP2
SCHEMBL29866260 0.78 ADRA1D (0.42) FYNACHEALDH1A1MEN1USP2
SCHEMBL2752947 0.77 CYP1A2 (0.59) ALDH1A1MEN1USP2CYP1A2CYP3A4
SCHEMBL2753374 0.77 ALDH1A1 (0.48) FYNALDH1A1MEN1USP2CYP1A2
SCHEMBL14003496 0.77 ACHE (0.47) FYNACHEALDH1A1MEN1USP2
SCHEMBL29866636 0.76 ADRA1D (0.41) FYNACHEALDH1A1MEN1USP2
SCHEMBL20242383 0.75 IMPDH2 (0.48) FYNALDH1A1MEN1USP2CYP1A2
SCHEMBL30136447 0.74 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EAPPPTPRC
SCHEMBL3743489 0.74 PTPRC (0.58) ALDH1A1MEN1USP2CYP1A2CYP3A4

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-105505378-A Organic electroluminescent device with furan[3,2-c] pyridine unit metal complexes as light-emitting layer CHANGCHUN INST APPLIED CHEMISTRY CAS 2016-04-20 CN disclosed