SCHEMBL19618310

SCHEMBL19618310

c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc4ccc(-c5ccc6ccccc6c5)cc34)cn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DHODH Q02127 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
KLF5 Q13887 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
ABL1 P00519 1/20 0.41
SGK1 O00141 3/20 0.41
HPGDS O60760 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL19618581 0.92 MEN1 (0.43) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL19618286 0.89 MEN1 (0.48) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL19618381 0.89 DHODH (0.45) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL19618296 0.88 DHODH (0.50) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL19618317 0.88 DHODH (0.50) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL19618386 0.88 DHODH (0.50) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL19009636 0.88 KDM4E (0.48) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL19618287 0.86 KDM4E (0.51) MEN1KMT2ADHODHLMNAKDM4E
SCHEMBL19618290 0.86 SIRT2 (0.45) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL19618294 0.85 CYP1A1 (0.47) MEN1KMT2ALMNAKDM4EALDH1A1

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-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed