SCHEMBL17944641

SCHEMBL17944641

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)sc5ccc7c8ccccc8sc7c56)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIMK1 P53667 2/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ALOX5 P09917 1/20 0.36
PTPN1 P18031 2/20 0.36
GPR3 P46089 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
F9 P00740 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B1 P14061 1/20 0.34
CYP2B6 P20813 1/20 0.34

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
SCHEMBL17945291 1.00 MAPT (0.37) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17945504 0.97 LIMK1 (0.39) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17944205 0.97 LIMK1 (0.39) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19110210 0.95 MAPT (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19109209 0.94 LIMK1 (0.37) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17944213 0.94 MAPT (0.36) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17945059 0.94 MAPT (0.36) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17945723 0.94 LIMK1 (0.37) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17944228 0.94 LIMK1 (0.37) MAPTALDH1A1HPGDLIMK1TNKS
SCHEMBL24341482 0.94 LIMK1 (0.39) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed