SCHEMBL29099802

SCHEMBL29099802

O=C=Nc1ccccc1-c1ccccc1-c1ccccc1N=C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.54
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 3/20 0.38
S100A4 P26447 3/20 0.38
MAOA P21397 3/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CES2 O00748 1/20 0.38
APAF1 O14727 1/20 0.38
TERT O14746 1/20 0.38
NPC1 O15118 1/20 0.38
PLIN1 O60240 1/20 0.38
TDP2 O95551 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL112824 0.97 CYP3A4 (0.56) CYP3A4MEN1KMT2AMAPK1S100A4
SCHEMBL28472329 0.88 CYP3A4 (0.44) CYP3A4MEN1KMT2AMAPK1S100A4
SCHEMBL28472327 0.86 CYP3A4 (0.42) CYP3A4TRPA1
SCHEMBL17847475 0.85 CYP3A4 (0.45) CYP3A4MEN1KMT2AMAPK1MAOA
SCHEMBL17847440 0.85 CYP3A4 (0.45) CYP3A4MEN1KMT2ATRPA1KDM4E
SCHEMBL17847483 0.85 CYP3A4 (0.45) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL7585388 0.85 CYP3A4 (0.55) CYP3A4MAPK1TRPA1NPC1LMNA
SCHEMBL9183951 0.85 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL17847486 0.85 CYP3A4 (0.45) CYP3A4KMT2AMAPK1NPC1LMNA
SCHEMBL29687996 0.84 CYP3A4 (0.48) CYP3A4MAPK1TRPA1ALDH1A1TDP1

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
CN-115335425-B Method for preparing low haze polymer compositions for high refractive index optical materials PPG工业俄亥俄公司 2023-10-24 CN disclosed