SCHEMBL30224746

SCHEMBL30224746

COCCOCc1cc(NCC(C)C)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
NPY5R Q15761 6/20 0.34
EGFR P00533 2/20 0.33
CSF1R P07333 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL29185247 1.00 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30224809 0.90 NPY5R (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30224927 0.90 NPY5R (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29185262 0.90 NPY5R (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29185263 0.90 NPY5R (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30224769 0.88 NPY5R (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29185299 0.88 NPY5R (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30224971 0.87 MEN1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29185270 0.87 NPY5R (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29185255 0.87 MEN1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed