SCHEMBL19986071

SCHEMBL19986071

c1ccc2c(c1)oc1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3n(-c3ccc4c(c3)sc3ccccc34)c12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR2 Q92731 2/20 0.34
ESR1 P03372 1/20 0.33
GPR3 P46089 1/20 0.33
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL17246262 0.94 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986070 0.93 ESR2 (0.35) ALDH1A1ESR2ESR1GPR3LMNA
SCHEMBL19986084 0.91 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17246265 0.90 ALDH1A1 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986075 0.89 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986058 0.88 RXFP1 (0.34) ALDH1A1MAPTHPGDLMNAPPARG
SCHEMBL17246241 0.87 ESR2 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17405641 0.87 ESR2 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17405528 0.87 ESR2 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986081 0.87 ESR1 (0.33) ESR2ESR1

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 2 patents. 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
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