SCHEMBL9329612

SCHEMBL9329612

Cc1c(N)ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N)c(-c3ccccc3)c2-c2ccccc2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 3/20 0.36
BRD4 O60885 1/20 0.36
TDO2 P48775 1/20 0.36
AKT2 P31751 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
PIK3CA P42336 1/20 0.35
MAPT P10636 3/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35
HTT P42858 2/20 0.34
ADRA2A P08913 1/20 0.34
ADORA2A P29274 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL7616612 0.83 HSD17B10 (0.34) ALDH1A1HSD17B10KMT2ABRD4TDO2
SCHEMBL141445 0.81 HSD17B10 (0.50) ALDH1A1HSD17B10TDO2AKT2CYP3A4
SCHEMBL1009932 0.77 HSD17B10 (0.46) ALDH1A1HSD17B10KMT2ABRD4TDO2
SCHEMBL2327490 0.76 ALDH1A1 (0.38) ALDH1A1HSD17B10KMT2ABRD4MAPT
SCHEMBL5030574 0.76 HSD17B10 (0.48) ALDH1A1HSD17B10KMT2ABRD4TDO2
SCHEMBL10493873 0.75 HSD17B10 (0.43) ALDH1A1HSD17B10KMT2ABRD4TDO2
SCHEMBL28845278 0.75 HSD17B10 (0.48) ALDH1A1HSD17B10TDO2AKT2CYP3A4
SCHEMBL28602211 0.74 CYP3A4 (0.46) ALDH1A1HSD17B10KMT2ABRD4TDO2
SCHEMBL1899394 0.73 HSD17B10 (0.46) ALDH1A1HSD17B10KMT2ABRD4TDO2
SCHEMBL675595 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10KMT2ABRD4TDO2

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-5343050-A Organic electroluminescent device with low barrier height KABUSHIKI KAISHA TOSHIBA (JP) 1994-08-30 US disclosed
EP-0553950-A2 Organic electroluminescent device KABUSHIKI KAISHA TOSHIBA (JP) 1993-08-04 EP disclosed