SCHEMBL29705135

SCHEMBL29705135

O=C(O)c1ccc2c3cccc4cccc(c5ccc(C(=O)NCCc6ccccc6)c1c25)c43

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.49
RAB9A P51151 6/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL823219 0.92 RAB9A (0.56) EGLN1RAB9AMAPTLMNANPC1
SCHEMBL16351643 0.92 RAB9A (0.56) EGLN1RAB9AMAPTLMNANPC1
SCHEMBL5187348 0.92 RAB9A (0.56) EGLN1RAB9AMAPTLMNANPC1
SCHEMBL16351644 0.90 KMT2A (0.56) RAB9AMAPTLMNANPC1KDM4E
SCHEMBL5051133 0.90 KMT2A (0.56) RAB9AMAPTLMNANPC1KDM4E
SCHEMBL3796253 0.87 RAB9A (0.62) EGLN1RAB9AMAPTLMNANPC1
SCHEMBL822668 0.87 RAB9A (0.62) EGLN1RAB9AMAPTLMNANPC1
SCHEMBL16352053 0.87 RAB9A (0.62) EGLN1RAB9AMAPTLMNANPC1
SCHEMBL12038226 0.83 MAPT (0.47) EGLN1RAB9AMAPTLMNANPC1
SCHEMBL16351306 0.83 PLAAT3 (0.48) RAB9AMAPTLMNANPC1ALDH1A1

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-110724104-B 3, 4-perylene diimide derivative and preparation method and application thereof 辽宁鸿港化工有限公司 2022-07-05 CN disclosed