SCHEMBL23280663

SCHEMBL23280663

Nc1cccc2c1-c1ccccc1C21c2ccccc2-c2c1ccc1ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
KEAP1 Q14145 2/20 0.44
CYP3A4 P08684 2/20 0.44
DNMT1 P26358 1/20 0.37
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPRT1 P00492 1/20 0.35
PTPRC P08575 1/20 0.35
ADORA2A P29274 1/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.35
DHFR P00374 2/20 0.35
TDP1 Q9NUW8 3/20 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
SCHEMBL19974142 0.87 DNMT1 (0.43) ALDH1A1HSD17B10HPGDTSHRDNMT1
SCHEMBL29473425 0.87 DNMT1 (0.43) ALDH1A1HSD17B10HPGDTSHRDNMT1
SCHEMBL19061259 0.83 TNF (0.42) PDK2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL15505765 0.83 PDK2 (0.56) PDK2ALDH1A1HSD17B10CYP3A4MEN1
SCHEMBL29431837 0.83 PDK2 (0.56) PDK2ALDH1A1HSD17B10CYP3A4MEN1
SCHEMBL20914937 0.81 DNMT1 (0.44) ALDH1A1HSD17B10TSHRDNMT1MEN1
SCHEMBL19001499 0.81 DNMT1 (0.37) ALDH1A1HSD17B10HPGDTSHRDNMT1
SCHEMBL19822216 0.81 PDK2 (0.45) PDK2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL19668064 0.81 PDK2 (0.45) PDK2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL23280661 0.81 SMN1; SMN2 (0.42) PDK2ALDH1A1HSD17B10HPGDTSHR

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
EP-3193384-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-04-28 EP disclosed