SCHEMBL31375352

SCHEMBL31375352

COc1cc2cc[nH]c2c(I)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.45
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
MAP3K11 Q16584 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL6514486 0.85 BRD4 (0.47) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31375348 0.81 BRD4 (0.44) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9315325 0.77 TUBB4A (0.41) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1748919 0.76 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL34465699 0.73 TNF (0.43) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30261030 0.72 BRD4 (0.45) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7835424 0.72 BRD4 (0.45) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8578238 0.72 ACHE (0.45) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2301175 0.70 BRD4 (0.43) BRD4TLR8TLR7MEN1KMT2A
SCHEMBL3333636 0.70 BRD4 (0.45) BRD4TUBB4ATUBBTUBA3CTUBA1B

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-119431212-A Synthesis method of 7-bromo-5, 6-bis (benzyloxy) benzopyrrole and derivative dimer thereof 中国科学院生物物理研究所 2025-02-14 CN disclosed