SCHEMBL29175441

SCHEMBL29175441

CCCCCCCCC(CCCCCC)Cn1nc2c(-c3ccc(Br)s3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
PTGES O14684 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
APP P05067 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
MAPK1 P28482 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL29175444 0.88 ALDH1A1 (0.38) LMNAKMT2AMEN1ALDH1A1TDP1
SCHEMBL15200738 0.83
SCHEMBL28465082 0.82 MAPT (0.41) MAPTPTGESPOLBLMNAAPP
SCHEMBL727218 0.82
SCHEMBL29175447 0.80 ALDH1A1 (0.33) LMNAALDH1A1MAPK1
SCHEMBL29175445 0.78 ALDH1A1 (0.36) LMNAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2857441 0.73 MAPT (0.58) MAPTLMNAAPPKMT2AMEN1
SCHEMBL15200733 0.70
SCHEMBL21905439 0.70
SCHEMBL29175446 0.70 ALDH1A1 (0.32) LMNAALDH1A1MAPK1

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-117402177-A Organic photoelectric compound and preparation method and application thereof 宁波大学 2024-01-16 CN disclosed