SCHEMBL29655431

SCHEMBL29655431

NC1(N)C=CC(c2ccccc2-c2ccccc2-c2ccccc2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
XBP1 P17861 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
SMAD3 P84022 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL29257684 0.98 ALDH1A1 (0.35) ALDH1A1HSD17B10PTGS2MEN1APAF1
SCHEMBL30338452 0.98 ALDH1A1 (0.35) ALDH1A1HSD17B10PTGS2MEN1APAF1
SCHEMBL30570298 0.89 IDO1 (0.31)
SCHEMBL28387227 0.87 MEN1 (0.34) ALDH1A1MEN1NPC1LMNAMAPT
SCHEMBL3678503 0.86 HDAC4 (0.32) ALDH1A1HSD17B10HDAC4HDAC2HDAC8
SCHEMBL1120013 0.86 TAAR1 (0.34) ALDH1A1HSD17B10PTGS2NPC1LMNA
Benzene SCHEMBL28178850 0.86 TAAR1 (0.34) ALDH1A1HSD17B10PTGS2NPC1LMNA
SCHEMBL28333533 0.85 RXRA (0.45)
Methane SCHEMBL20572263 0.84 TAAR1 (0.33) ALDH1A1HSD17B10MGLL
Biphenyl SCHEMBL28296182 0.84 TAAR1 (0.38) ALDH1A1HSD17B10NPC1RAB9AMGLL

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
CN-114613927-B Charge generation layer, electroluminescent device and preparation method thereof 南京迪视泰光电科技有限公司 2022-07-29 CN disclosed
CN-114613927-A Charge generation layer, electroluminescent device and preparation method thereof 南京迪视泰光电科技有限公司 2022-06-10 CN disclosed