SCHEMBL29314787

SCHEMBL29314787

c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cccc%10ccccc9%10)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10032286 0.97 AR (0.43) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL10032316 0.95 AR (0.42) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL10032412 0.95 AR (0.42) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL21103632 0.94 PARP1 (0.44) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL20250406 0.94 PARP1 (0.44) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL21103889 0.94 PARP1 (0.47) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL10032342 0.94 AR (0.41) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL19768147 0.93 ATR (0.42) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL19768085 0.93 PARP1 (0.42) PARP1ALDH1A1KDM4EHPGDPIM1
SCHEMBL10032382 0.92 CA12 (0.43) PARP1ALDH1A1KDM4EHPGDPIM1

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-20240244968-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244968-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed